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- PDB-4wzj: Spliceosomal U4 snRNP core domain -

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Basic information

Entry
Database: PDB / ID: 4wzj
TitleSpliceosomal U4 snRNP core domain
Components
  • (Small nuclear ribonucleoprotein ...) x 6
  • Small nuclear ribonucleoprotein-associated proteins B and B'
  • U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.
KeywordsSPLICING / Splicing-RNA complex / pre-mRNA splicing / snRNP biogenesis / Sm site binding
Function / homology
Function and homology information


U2 snRNP binding / U7 snRNA binding / histone pre-mRNA DCP binding / U7 snRNP / histone pre-mRNA 3'end processing complex / SLBP independent Processing of Histone Pre-mRNAs / SLBP Dependent Processing of Replication-Dependent Histone Pre-mRNAs / protein methylation / U12-type spliceosomal complex / 7-methylguanosine cap hypermethylation ...U2 snRNP binding / U7 snRNA binding / histone pre-mRNA DCP binding / U7 snRNP / histone pre-mRNA 3'end processing complex / SLBP independent Processing of Histone Pre-mRNAs / SLBP Dependent Processing of Replication-Dependent Histone Pre-mRNAs / protein methylation / U12-type spliceosomal complex / 7-methylguanosine cap hypermethylation / U1 snRNP binding / methylosome / pICln-Sm protein complex / snRNP binding / small nuclear ribonucleoprotein complex / telomerase holoenzyme complex / SMN-Sm protein complex / P granule / telomerase RNA binding / spliceosomal tri-snRNP complex / U2-type precatalytic spliceosome / U2-type spliceosomal complex / commitment complex / U2-type prespliceosome assembly / U2-type catalytic step 2 spliceosome / U4 snRNP / U2 snRNP / RNA Polymerase II Transcription Termination / U1 snRNP / U2-type prespliceosome / precatalytic spliceosome / spliceosomal complex assembly / mRNA Splicing - Minor Pathway / U5 snRNP / spliceosomal snRNP assembly / U4/U6 x U5 tri-snRNP complex / catalytic step 2 spliceosome / mRNA Splicing - Major Pathway / RNA splicing / spliceosomal complex / mRNA splicing, via spliceosome / snRNP Assembly / SARS-CoV-2 modulates host translation machinery / nuclear body / enzyme binding / RNA binding / extracellular exosome / nucleoplasm / nucleus / cytosol / cytoplasm
Similarity search - Function
Small ribonucleoprotein associated, SmB/SmN / Small nuclear ribonucleoprotein D1 / Small nuclear ribonucleoprotein Sm D3 / Small nuclear ribonucleoprotein Sm D2 / Small nuclear ribonucleoprotein E / Small nuclear ribonucleoprotein G / Small nuclear ribonucleoprotein F / Sm-like protein Lsm7/SmG / Like-Sm (LSM) domain containing protein, LSm4/SmD1/SmD3 / Sm-like protein Lsm6/SmF ...Small ribonucleoprotein associated, SmB/SmN / Small nuclear ribonucleoprotein D1 / Small nuclear ribonucleoprotein Sm D3 / Small nuclear ribonucleoprotein Sm D2 / Small nuclear ribonucleoprotein E / Small nuclear ribonucleoprotein G / Small nuclear ribonucleoprotein F / Sm-like protein Lsm7/SmG / Like-Sm (LSM) domain containing protein, LSm4/SmD1/SmD3 / Sm-like protein Lsm6/SmF / LSM domain / LSM domain, eukaryotic/archaea-type / snRNP Sm proteins / : / Sm domain profile. / LSM domain superfamily
Similarity search - Domain/homology
RNA / RNA (> 10) / Small nuclear ribonucleoprotein-associated proteins B and B' / Small nuclear ribonucleoprotein E / Small nuclear ribonucleoprotein F / Small nuclear ribonucleoprotein G / Small nuclear ribonucleoprotein Sm D1 / Small nuclear ribonucleoprotein Sm D2 / Small nuclear ribonucleoprotein Sm D3
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.6 Å
AuthorsLeung, A.K.W. / Nagai, K. / Li, J.
Citation
Journal: Nature / Year: 2011
Title: Structure of the spliceosomal U4 snRNP core domain and its implication for snRNP biogenesis.
Authors: Leung, A.K. / Nagai, K. / Li, J.
#1: Journal: Cell(Cambridge,Mass.) / Year: 1999
Title: Crystal structures of two Sm protein complexes and their implications for the assembly of the spliceosomal snRNPs.
Authors: Kambach, C. / Walke, S. / Young, R. / Avis, J.M. / de la Fortelle, E. / Raker, V.A. / Luhrmann, R. / Li, J. / Nagai, K.
#2: Journal: Embo J. / Year: 2001
Title: RNA binding in an Sm core domain: X-ray structure and functional analysis of an archaeal Sm protein complex.
Authors: Toro, I. / Thore, S. / Mayer, C. / Basquin, J. / Seraphin, B. / Suck, D.
#3: Journal: Elife / Year: 2015
Title: Crystal structure of human U1 snRNP, a small nuclear ribonucleoprotein particle, reveals the mechanism of 5' splice site recognition.
Authors: Kondo, Y. / Oubridge, C. / van Roon, A.M. / Nagai, K.
#4: Journal: Acta Crystallogr.,Sect.D / Year: 2016
Title: Re-refinement of the spliceosomal U4 snRNP core-domain structure
Authors: Li, J. / Leung, A.K. / Kondo, Y. / Oubridge, C. / Nagai, K.
History
DepositionNov 19, 2014Deposition site: RCSB / Processing site: PDBE
SupersessionJan 14, 2015ID: 4V5U
Revision 1.0Jan 14, 2015Provider: repository / Type: Initial release
Revision 1.1Apr 8, 2015Group: Database references / Structure summary
Revision 1.2Jan 13, 2016Group: Database references
Revision 1.3Apr 18, 2018Group: Data collection / Database references / Source and taxonomy
Category: citation / citation_author / entity_src_gen
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.name / _entity_src_gen.pdbx_host_org_scientific_name / _entity_src_gen.pdbx_host_org_strain
Revision 1.4Jan 10, 2024Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Small nuclear ribonucleoprotein Sm D3
B: Small nuclear ribonucleoprotein-associated proteins B and B'
C: Small nuclear ribonucleoprotein Sm D1
D: Small nuclear ribonucleoprotein Sm D2
F: Small nuclear ribonucleoprotein F
E: Small nuclear ribonucleoprotein E
G: Small nuclear ribonucleoprotein G
H: Small nuclear ribonucleoprotein Sm D3
I: Small nuclear ribonucleoprotein-associated proteins B and B'
J: Small nuclear ribonucleoprotein Sm D1
K: Small nuclear ribonucleoprotein Sm D2
M: Small nuclear ribonucleoprotein F
L: Small nuclear ribonucleoprotein E
N: Small nuclear ribonucleoprotein G
O: Small nuclear ribonucleoprotein Sm D3
P: Small nuclear ribonucleoprotein-associated proteins B and B'
Q: Small nuclear ribonucleoprotein Sm D1
R: Small nuclear ribonucleoprotein Sm D2
T: Small nuclear ribonucleoprotein F
S: Small nuclear ribonucleoprotein E
U: Small nuclear ribonucleoprotein G
AA: Small nuclear ribonucleoprotein Sm D3
BB: Small nuclear ribonucleoprotein-associated proteins B and B'
CC: Small nuclear ribonucleoprotein Sm D1
DD: Small nuclear ribonucleoprotein Sm D2
FF: Small nuclear ribonucleoprotein F
EE: Small nuclear ribonucleoprotein E
GG: Small nuclear ribonucleoprotein G
HH: Small nuclear ribonucleoprotein Sm D3
II: Small nuclear ribonucleoprotein-associated proteins B and B'
JJ: Small nuclear ribonucleoprotein Sm D1
KK: Small nuclear ribonucleoprotein Sm D2
MM: Small nuclear ribonucleoprotein F
LL: Small nuclear ribonucleoprotein E
NN: Small nuclear ribonucleoprotein G
OO: Small nuclear ribonucleoprotein Sm D3
PP: Small nuclear ribonucleoprotein-associated proteins B and B'
QQ: Small nuclear ribonucleoprotein Sm D1
RR: Small nuclear ribonucleoprotein Sm D2
TT: Small nuclear ribonucleoprotein F
SS: Small nuclear ribonucleoprotein E
UU: Small nuclear ribonucleoprotein G
AAA: Small nuclear ribonucleoprotein Sm D3
BBB: Small nuclear ribonucleoprotein-associated proteins B and B'
CCC: Small nuclear ribonucleoprotein Sm D1
DDD: Small nuclear ribonucleoprotein Sm D2
FFF: Small nuclear ribonucleoprotein F
EEE: Small nuclear ribonucleoprotein E
GGG: Small nuclear ribonucleoprotein G
HHH: Small nuclear ribonucleoprotein Sm D3
III: Small nuclear ribonucleoprotein-associated proteins B and B'
JJJ: Small nuclear ribonucleoprotein Sm D1
KKK: Small nuclear ribonucleoprotein Sm D2
MMM: Small nuclear ribonucleoprotein F
LLL: Small nuclear ribonucleoprotein E
NNN: Small nuclear ribonucleoprotein G
OOO: Small nuclear ribonucleoprotein Sm D3
PPP: Small nuclear ribonucleoprotein-associated proteins B and B'
QQQ: Small nuclear ribonucleoprotein Sm D1
RRR: Small nuclear ribonucleoprotein Sm D2
TTT: Small nuclear ribonucleoprotein F
SSS: Small nuclear ribonucleoprotein E
UUU: Small nuclear ribonucleoprotein G
AAAA: Small nuclear ribonucleoprotein Sm D3
BBBB: Small nuclear ribonucleoprotein-associated proteins B and B'
CCCC: Small nuclear ribonucleoprotein Sm D1
DDDD: Small nuclear ribonucleoprotein Sm D2
FFFF: Small nuclear ribonucleoprotein F
EEEE: Small nuclear ribonucleoprotein E
GGGG: Small nuclear ribonucleoprotein G
HHHH: Small nuclear ribonucleoprotein Sm D3
IIII: Small nuclear ribonucleoprotein-associated proteins B and B'
JJJJ: Small nuclear ribonucleoprotein Sm D1
KKKK: Small nuclear ribonucleoprotein Sm D2
MMMM: Small nuclear ribonucleoprotein F
LLLL: Small nuclear ribonucleoprotein E
NNNN: Small nuclear ribonucleoprotein G
OOOO: Small nuclear ribonucleoprotein Sm D3
PPPP: Small nuclear ribonucleoprotein-associated proteins B and B'
QQQQ: Small nuclear ribonucleoprotein Sm D1
RRRR: Small nuclear ribonucleoprotein Sm D2
TTTT: Small nuclear ribonucleoprotein F
SSSS: Small nuclear ribonucleoprotein E
UUUU: Small nuclear ribonucleoprotein G
V: U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.
X: U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.
Y: U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.
VV: U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.
XX: U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.
YY: U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.
VVV: U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.
XXX: U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.
YYY: U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.
VVVV: U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.
XXXX: U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.
YYYY: U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.


Theoretical massNumber of molelcules
Total (without water)1,229,00896
Polymers1,229,00896
Non-polymers00
Water543
1
A: Small nuclear ribonucleoprotein Sm D3
B: Small nuclear ribonucleoprotein-associated proteins B and B'
C: Small nuclear ribonucleoprotein Sm D1
D: Small nuclear ribonucleoprotein Sm D2
F: Small nuclear ribonucleoprotein F
E: Small nuclear ribonucleoprotein E
G: Small nuclear ribonucleoprotein G
V: U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.


Theoretical massNumber of molelcules
Total (without water)102,4178
Polymers102,4178
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
H: Small nuclear ribonucleoprotein Sm D3
I: Small nuclear ribonucleoprotein-associated proteins B and B'
J: Small nuclear ribonucleoprotein Sm D1
K: Small nuclear ribonucleoprotein Sm D2
M: Small nuclear ribonucleoprotein F
L: Small nuclear ribonucleoprotein E
N: Small nuclear ribonucleoprotein G
X: U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.


Theoretical massNumber of molelcules
Total (without water)102,4178
Polymers102,4178
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
O: Small nuclear ribonucleoprotein Sm D3
P: Small nuclear ribonucleoprotein-associated proteins B and B'
Q: Small nuclear ribonucleoprotein Sm D1
R: Small nuclear ribonucleoprotein Sm D2
T: Small nuclear ribonucleoprotein F
S: Small nuclear ribonucleoprotein E
U: Small nuclear ribonucleoprotein G
Y: U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.


Theoretical massNumber of molelcules
Total (without water)102,4178
Polymers102,4178
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
AA: Small nuclear ribonucleoprotein Sm D3
BB: Small nuclear ribonucleoprotein-associated proteins B and B'
CC: Small nuclear ribonucleoprotein Sm D1
DD: Small nuclear ribonucleoprotein Sm D2
FF: Small nuclear ribonucleoprotein F
EE: Small nuclear ribonucleoprotein E
GG: Small nuclear ribonucleoprotein G
VV: U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.


Theoretical massNumber of molelcules
Total (without water)102,4178
Polymers102,4178
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
5
HH: Small nuclear ribonucleoprotein Sm D3
II: Small nuclear ribonucleoprotein-associated proteins B and B'
JJ: Small nuclear ribonucleoprotein Sm D1
KK: Small nuclear ribonucleoprotein Sm D2
MM: Small nuclear ribonucleoprotein F
LL: Small nuclear ribonucleoprotein E
NN: Small nuclear ribonucleoprotein G
XX: U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.


Theoretical massNumber of molelcules
Total (without water)102,4178
Polymers102,4178
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
6
OO: Small nuclear ribonucleoprotein Sm D3
PP: Small nuclear ribonucleoprotein-associated proteins B and B'
QQ: Small nuclear ribonucleoprotein Sm D1
RR: Small nuclear ribonucleoprotein Sm D2
TT: Small nuclear ribonucleoprotein F
SS: Small nuclear ribonucleoprotein E
UU: Small nuclear ribonucleoprotein G
YY: U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.


Theoretical massNumber of molelcules
Total (without water)102,4178
Polymers102,4178
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
7
AAA: Small nuclear ribonucleoprotein Sm D3
BBB: Small nuclear ribonucleoprotein-associated proteins B and B'
CCC: Small nuclear ribonucleoprotein Sm D1
DDD: Small nuclear ribonucleoprotein Sm D2
FFF: Small nuclear ribonucleoprotein F
EEE: Small nuclear ribonucleoprotein E
GGG: Small nuclear ribonucleoprotein G
VVV: U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.


Theoretical massNumber of molelcules
Total (without water)102,4178
Polymers102,4178
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
8
HHH: Small nuclear ribonucleoprotein Sm D3
III: Small nuclear ribonucleoprotein-associated proteins B and B'
JJJ: Small nuclear ribonucleoprotein Sm D1
KKK: Small nuclear ribonucleoprotein Sm D2
MMM: Small nuclear ribonucleoprotein F
LLL: Small nuclear ribonucleoprotein E
NNN: Small nuclear ribonucleoprotein G
XXX: U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.


Theoretical massNumber of molelcules
Total (without water)102,4178
Polymers102,4178
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
9
OOO: Small nuclear ribonucleoprotein Sm D3
PPP: Small nuclear ribonucleoprotein-associated proteins B and B'
QQQ: Small nuclear ribonucleoprotein Sm D1
RRR: Small nuclear ribonucleoprotein Sm D2
TTT: Small nuclear ribonucleoprotein F
SSS: Small nuclear ribonucleoprotein E
UUU: Small nuclear ribonucleoprotein G
YYY: U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.


Theoretical massNumber of molelcules
Total (without water)102,4178
Polymers102,4178
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
10
AAAA: Small nuclear ribonucleoprotein Sm D3
BBBB: Small nuclear ribonucleoprotein-associated proteins B and B'
CCCC: Small nuclear ribonucleoprotein Sm D1
DDDD: Small nuclear ribonucleoprotein Sm D2
FFFF: Small nuclear ribonucleoprotein F
EEEE: Small nuclear ribonucleoprotein E
GGGG: Small nuclear ribonucleoprotein G
VVVV: U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.


Theoretical massNumber of molelcules
Total (without water)102,4178
Polymers102,4178
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
11
HHHH: Small nuclear ribonucleoprotein Sm D3
IIII: Small nuclear ribonucleoprotein-associated proteins B and B'
JJJJ: Small nuclear ribonucleoprotein Sm D1
KKKK: Small nuclear ribonucleoprotein Sm D2
MMMM: Small nuclear ribonucleoprotein F
LLLL: Small nuclear ribonucleoprotein E
NNNN: Small nuclear ribonucleoprotein G
XXXX: U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.


Theoretical massNumber of molelcules
Total (without water)102,4178
Polymers102,4178
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
12
OOOO: Small nuclear ribonucleoprotein Sm D3
PPPP: Small nuclear ribonucleoprotein-associated proteins B and B'
QQQQ: Small nuclear ribonucleoprotein Sm D1
RRRR: Small nuclear ribonucleoprotein Sm D2
TTTT: Small nuclear ribonucleoprotein F
SSSS: Small nuclear ribonucleoprotein E
UUUU: Small nuclear ribonucleoprotein G
YYYY: U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.


Theoretical massNumber of molelcules
Total (without water)102,4178
Polymers102,4178
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)248.010, 248.010, 251.940
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number144
Space group name H-MP31

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Components

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Small nuclear ribonucleoprotein ... , 6 types, 72 molecules AHOAAHHOOAAAHHHOOOAAAAHHHHOOOOCJQCCJJQQCCCJJJQQQCCCCJJJJQQQQDKRDDKKRR...

#1: Protein
Small nuclear ribonucleoprotein Sm D3 / Sm-D3 / snRNP core protein D3


Mass: 13783.114 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Details: engineered, co-expressed with SM B / Source: (gene. exp.) Homo sapiens (human) / Gene: SNRPD3 / Plasmid: PQE30 / Details (production host): co-expressed with Sm B / Production host: Escherichia coli K-12 (bacteria) / Strain (production host): K-12 / Variant (production host): SG13009 PREP4 / References: UniProt: P62318
#3: Protein
Small nuclear ribonucleoprotein Sm D1 / Sm-D1 / Sm-D autoantigen / snRNP core protein D1


Mass: 13153.460 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Details: engineered, co-expressed with SM D2 / Source: (gene. exp.) Homo sapiens (human) / Gene: SNRPD1 / Plasmid: PET / Details (production host): COEXPRESSED WITH SM-D2 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): PLYSS / References: UniProt: P62314
#4: Protein
Small nuclear ribonucleoprotein Sm D2 / Sm-D2 / snRNP core protein D2


Mass: 13551.928 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Details: engineered, co-expressed with SM D1 / Source: (gene. exp.) Homo sapiens (human) / Gene: SNRPD2 / Plasmid: PET / Details (production host): COEXPRESSED WITH SM-D1 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): PLYSS / References: UniProt: P62316
#5: Protein
Small nuclear ribonucleoprotein F / snRNP-F / Sm protein F / SmF


Mass: 9734.171 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Details: engineered, co-expressed with SM E and SM G / Source: (gene. exp.) Homo sapiens (human) / Gene: SNRPF, PBSCF / Plasmid: PET15B / Details (production host): Co-expressed with Sm E and Sm G / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P62306
#6: Protein
Small nuclear ribonucleoprotein E / snRNP-E / Sm protein E / SmE


Mass: 10817.601 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Details: engineered, co-expressed with SM F and SM G / Source: (gene. exp.) Homo sapiens (human) / Gene: SNRPE / Plasmid: PET15B / Details (production host): Co-expressed with SmF and Sm G / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P62304
#7: Protein
Small nuclear ribonucleoprotein G / snRNP-G / Sm protein G / SmG


Mass: 8508.084 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Details: engineered, co-expressed with SM E and SM F / Source: (gene. exp.) Homo sapiens (human) / Gene: SNRPG, PBSCG / Plasmid: PET15B / Details (production host): Co-expressed with SmE and SmF / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P62308

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Protein / RNA chain / Non-polymers , 3 types, 27 molecules BIPBBIIPPBBBIIIPPPBBBBIIIIPPPPVXYVVXXYYVVVXXXYYYVVVVXXXXYYYY

#2: Protein
Small nuclear ribonucleoprotein-associated proteins B and B' / snRNP-B / Sm protein B/B' / SmB/B'


Mass: 10911.931 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Details: engineered; residues 1-95 of sequence expressed, co-expressed with SM D3
Source: (gene. exp.) Homo sapiens (human) / Gene: SNRPB, COD, SNRPB1 / Plasmid: PQE30 / Details (production host): co-expressed with Sm D3 / Production host: Escherichia coli K-12 (bacteria) / Strain (production host): K-12 / Variant (production host): SG13009 PREP4 / References: UniProt: P14678
#8: RNA chain
U4 small nuclear RNA variant: Native sequence 85-145, of which nucleotides 97-104 are replaced with GAAA tetraloop and nucleotides 134-137 are replaced with GAAA tetraloop receptor.


Mass: 21957.041 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Details: IN VITRO TRANSCRIPTION WITH T7 RNA POLYMERASE / Source: (gene. exp.) Homo sapiens (human) / Gene: RNU4-1 / Production host: synthetic construct (others)
#9: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 3 / Source method: isolated from a natural source / Formula: H2O

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION

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Sample preparation

CrystalDensity Matthews: 3.6 Å3/Da / Density % sol: 63 % / Description: hexagonal bipyramid
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 4-10% PEG 550 MME, 0.1M KSCN or (NH4)2SO4, 0.1 M TRIS PH 8.0-8.5 10 MM MGCL2, 2 MM CYCLEN.
PH range: 8.0-8.5

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SRS / Beamline: PX9.6 / Wavelength: 0.9795 Å
DetectorType: ADSC QUANTUM 4 / Detector: CCD / Date: Jul 13, 2004
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9795 Å / Relative weight: 1
Reflection twin
TypeCrystal-IDIDOperatorDomain-IDFraction
pseudo-merohedral11H, K, L10.2177
pseudo-merohedral11-K, -H, -L20.2825
pseudo-merohedral11K, H, -L30.2833
pseudo-merohedral11-h,-k,l40.2165
ReflectionResolution: 3.59→66.16 Å / Num. all: 202467 / Num. obs: 202467 / % possible obs: 82.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 2 % / Rmerge(I) obs: 0.21 / Net I/σ(I): 3.3
Reflection shellResolution: 3.59→3.68 Å / Redundancy: 1.9 % / Rmerge(I) obs: 0.73 / Mean I/σ(I) obs: 1.1 / % possible all: 20.8

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Processing

Software
NameVersionClassification
REFMAC5.8.0073refinement
XDSdata reduction
SCALA6data scaling
PHASER2.5.2phasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4PJO

4pjo


Resolution: 3.6→66.154 Å / Cor.coef. Fo:Fc: 0.924 / Cor.coef. Fo:Fc free: 0.896 / WRfactor Rfree: 0.205 / WRfactor Rwork: 0.164 / Data cutoff high absF: 0 / Data cutoff low absF: 0.2 / Cross valid method: FREE R-VALUE / σ(F): 0 / ESU R Free: 0.124
Details: Hydrogens have been added in their riding positions
RfactorNum. reflection% reflectionSelection details
Rfree0.2238 8251 4.9 %Random selection
Rwork0.1767 158528 --
all0.179 ---
obs0.17899 166779 83.075 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK BULK SOLVENT
Displacement parametersBiso mean: 128.369 Å2
Baniso -1Baniso -2Baniso -3
1--5.014 Å2-0 Å2-0 Å2
2---5.014 Å2-0 Å2
3---10.028 Å2
Refinement stepCycle: LAST / Resolution: 3.6→66.154 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms54046 17436 0 3 71485
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.010.01774296
X-RAY DIFFRACTIONr_angle_refined_deg1.3991.777104006
X-RAY DIFFRACTIONr_dihedral_angle_1_deg7.49156712
X-RAY DIFFRACTIONr_dihedral_angle_2_deg31.88524.3432390
X-RAY DIFFRACTIONr_dihedral_angle_3_deg15.511510886
X-RAY DIFFRACTIONr_dihedral_angle_4_deg16.17315406
X-RAY DIFFRACTIONr_chiral_restr0.0720.211731
X-RAY DIFFRACTIONr_gen_planes_refined0.0090.02148130
X-RAY DIFFRACTIONr_nbd_refined0.2370.230582
X-RAY DIFFRACTIONr_nbtor_refined0.3030.248648
X-RAY DIFFRACTIONr_xyhbond_nbd_refined0.1480.22310
X-RAY DIFFRACTIONr_symmetry_nbd_refined0.3460.2326
X-RAY DIFFRACTIONr_symmetry_xyhbond_nbd_refined0.2990.234
X-RAY DIFFRACTIONr_mcbond_it13.2111.53127133
X-RAY DIFFRACTIONr_mcangle_it21.40217.19533750
X-RAY DIFFRACTIONr_scbond_it12.97913.72147163
X-RAY DIFFRACTIONr_scangle_it21.11320.55770256
X-RAY DIFFRACTIONr_lrange_it35.898123.122305545
X-RAY DIFFRACTIONr_ncsr_local_group_10.0140.05103
X-RAY DIFFRACTIONr_ncsr_local_group_20.0240.05101
X-RAY DIFFRACTIONr_ncsr_local_group_30.0580.05103
X-RAY DIFFRACTIONr_ncsr_local_group_40.0040.05102
X-RAY DIFFRACTIONr_ncsr_local_group_50.0040.05102
X-RAY DIFFRACTIONr_ncsr_local_group_60.0080.05103
X-RAY DIFFRACTIONr_ncsr_local_group_70.0040.05101
X-RAY DIFFRACTIONr_ncsr_local_group_80.0040.05100
X-RAY DIFFRACTIONr_ncsr_local_group_90.0120.05103
X-RAY DIFFRACTIONr_ncsr_local_group_100.0050.05102
X-RAY DIFFRACTIONr_ncsr_local_group_110.0050.05102
X-RAY DIFFRACTIONr_ncsr_local_group_120.0110.0591
X-RAY DIFFRACTIONr_ncsr_local_group_130.0060.0590
X-RAY DIFFRACTIONr_ncsr_local_group_140.0060.0590
X-RAY DIFFRACTIONr_ncsr_local_group_150.040.0591
X-RAY DIFFRACTIONr_ncsr_local_group_160.0080.0590
X-RAY DIFFRACTIONr_ncsr_local_group_170.0060.0590
X-RAY DIFFRACTIONr_ncsr_local_group_180.0060.0590
X-RAY DIFFRACTIONr_ncsr_local_group_190.0060.0590
X-RAY DIFFRACTIONr_ncsr_local_group_200.0080.0590
X-RAY DIFFRACTIONr_ncsr_local_group_210.060.0592
X-RAY DIFFRACTIONr_ncsr_local_group_220.0080.0591
X-RAY DIFFRACTIONr_ncsr_local_group_230.0060.05102
X-RAY DIFFRACTIONr_ncsr_local_group_240.0060.05101
X-RAY DIFFRACTIONr_ncsr_local_group_250.0060.05102
X-RAY DIFFRACTIONr_ncsr_local_group_260.0050.05102
X-RAY DIFFRACTIONr_ncsr_local_group_270.0050.05102
X-RAY DIFFRACTIONr_ncsr_local_group_280.0040.05102
X-RAY DIFFRACTIONr_ncsr_local_group_290.0050.05102
X-RAY DIFFRACTIONr_ncsr_local_group_300.0050.05101
X-RAY DIFFRACTIONr_ncsr_local_group_310.0050.05102
X-RAY DIFFRACTIONr_ncsr_local_group_320.0050.05102
X-RAY DIFFRACTIONr_ncsr_local_group_330.0050.05102
X-RAY DIFFRACTIONr_ncsr_local_group_340.0070.05124
X-RAY DIFFRACTIONr_ncsr_local_group_350.0080.05126
X-RAY DIFFRACTIONr_ncsr_local_group_360.0430.05124
X-RAY DIFFRACTIONr_ncsr_local_group_370.0070.05126
X-RAY DIFFRACTIONr_ncsr_local_group_380.0080.05126
X-RAY DIFFRACTIONr_ncsr_local_group_390.0060.05126
X-RAY DIFFRACTIONr_ncsr_local_group_400.0050.05124
X-RAY DIFFRACTIONr_ncsr_local_group_410.0060.05126
X-RAY DIFFRACTIONr_ncsr_local_group_420.0090.05126
X-RAY DIFFRACTIONr_ncsr_local_group_430.0320.05124
X-RAY DIFFRACTIONr_ncsr_local_group_440.0070.05126
X-RAY DIFFRACTIONr_ncsr_local_group_450.0120.0586
X-RAY DIFFRACTIONr_ncsr_local_group_460.0130.0586
X-RAY DIFFRACTIONr_ncsr_local_group_470.0120.0586
X-RAY DIFFRACTIONr_ncsr_local_group_480.0130.0586
X-RAY DIFFRACTIONr_ncsr_local_group_490.1060.0586
X-RAY DIFFRACTIONr_ncsr_local_group_500.0130.0587
X-RAY DIFFRACTIONr_ncsr_local_group_510.0130.0586
X-RAY DIFFRACTIONr_ncsr_local_group_520.0120.0586
X-RAY DIFFRACTIONr_ncsr_local_group_530.0070.0586
X-RAY DIFFRACTIONr_ncsr_local_group_540.0070.0585
X-RAY DIFFRACTIONr_ncsr_local_group_550.010.0586
X-RAY DIFFRACTIONr_ncsr_local_group_560.0050.05106
X-RAY DIFFRACTIONr_ncsr_local_group_570.0090.05106
X-RAY DIFFRACTIONr_ncsr_local_group_580.0050.05106
X-RAY DIFFRACTIONr_ncsr_local_group_590.0060.05106
X-RAY DIFFRACTIONr_ncsr_local_group_600.0080.05106
X-RAY DIFFRACTIONr_ncsr_local_group_610.0050.05106
X-RAY DIFFRACTIONr_ncsr_local_group_620.0080.05106
X-RAY DIFFRACTIONr_ncsr_local_group_630.0080.05106
X-RAY DIFFRACTIONr_ncsr_local_group_640.0070.05106
X-RAY DIFFRACTIONr_ncsr_local_group_650.0460.05101
X-RAY DIFFRACTIONr_ncsr_local_group_660.0070.05106
X-RAY DIFFRACTIONr_ncsr_local_group_670.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_680.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_690.0060.0586
X-RAY DIFFRACTIONr_ncsr_local_group_700.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_710.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_720.0040.0587
X-RAY DIFFRACTIONr_ncsr_local_group_730.0070.0587
X-RAY DIFFRACTIONr_ncsr_local_group_740.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_750.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_760.0040.0587
X-RAY DIFFRACTIONr_ncsr_local_group_770.0040.0587
X-RAY DIFFRACTIONr_ncsr_local_group_780.0330.05102
X-RAY DIFFRACTIONr_ncsr_local_group_790.0040.05101
X-RAY DIFFRACTIONr_ncsr_local_group_800.0610.05104
X-RAY DIFFRACTIONr_ncsr_local_group_810.0040.05101
X-RAY DIFFRACTIONr_ncsr_local_group_820.0060.05103
X-RAY DIFFRACTIONr_ncsr_local_group_830.0040.05103
X-RAY DIFFRACTIONr_ncsr_local_group_840.0040.05100
X-RAY DIFFRACTIONr_ncsr_local_group_850.0040.05102
X-RAY DIFFRACTIONr_ncsr_local_group_860.0050.05102
X-RAY DIFFRACTIONr_ncsr_local_group_870.0070.05102
X-RAY DIFFRACTIONr_ncsr_local_group_880.0070.0589
X-RAY DIFFRACTIONr_ncsr_local_group_890.010.0589
X-RAY DIFFRACTIONr_ncsr_local_group_900.0070.0590
X-RAY DIFFRACTIONr_ncsr_local_group_910.0070.0589
X-RAY DIFFRACTIONr_ncsr_local_group_920.0070.0589
X-RAY DIFFRACTIONr_ncsr_local_group_930.0070.0589
X-RAY DIFFRACTIONr_ncsr_local_group_940.0070.0589
X-RAY DIFFRACTIONr_ncsr_local_group_950.0060.0590
X-RAY DIFFRACTIONr_ncsr_local_group_960.010.0590
X-RAY DIFFRACTIONr_ncsr_local_group_970.0060.0589
X-RAY DIFFRACTIONr_ncsr_local_group_980.0050.05103
X-RAY DIFFRACTIONr_ncsr_local_group_990.0050.05104
X-RAY DIFFRACTIONr_ncsr_local_group_1000.0080.05103
X-RAY DIFFRACTIONr_ncsr_local_group_1010.0060.05104
X-RAY DIFFRACTIONr_ncsr_local_group_1020.0060.05104
X-RAY DIFFRACTIONr_ncsr_local_group_1030.0050.05104
X-RAY DIFFRACTIONr_ncsr_local_group_1040.0040.05103
X-RAY DIFFRACTIONr_ncsr_local_group_1050.0060.05103
X-RAY DIFFRACTIONr_ncsr_local_group_1060.0050.05104
X-RAY DIFFRACTIONr_ncsr_local_group_1070.0050.05104
X-RAY DIFFRACTIONr_ncsr_local_group_1080.0090.05125
X-RAY DIFFRACTIONr_ncsr_local_group_1090.0430.05123
X-RAY DIFFRACTIONr_ncsr_local_group_1100.0090.05125
X-RAY DIFFRACTIONr_ncsr_local_group_1110.0090.05125
X-RAY DIFFRACTIONr_ncsr_local_group_1120.0080.05125
X-RAY DIFFRACTIONr_ncsr_local_group_1130.0160.05125
X-RAY DIFFRACTIONr_ncsr_local_group_1140.0080.05125
X-RAY DIFFRACTIONr_ncsr_local_group_1150.010.05125
X-RAY DIFFRACTIONr_ncsr_local_group_1160.010.05124
X-RAY DIFFRACTIONr_ncsr_local_group_1170.0090.05125
X-RAY DIFFRACTIONr_ncsr_local_group_1180.0450.0587
X-RAY DIFFRACTIONr_ncsr_local_group_1190.0450.0587
X-RAY DIFFRACTIONr_ncsr_local_group_1200.0730.0591
X-RAY DIFFRACTIONr_ncsr_local_group_1210.1040.0589
X-RAY DIFFRACTIONr_ncsr_local_group_1220.0070.0586
X-RAY DIFFRACTIONr_ncsr_local_group_1230.0850.0589
X-RAY DIFFRACTIONr_ncsr_local_group_1240.020.0588
X-RAY DIFFRACTIONr_ncsr_local_group_1250.0730.0586
X-RAY DIFFRACTIONr_ncsr_local_group_1260.1120.0588
X-RAY DIFFRACTIONr_ncsr_local_group_1270.0510.0587
X-RAY DIFFRACTIONr_ncsr_local_group_1280.0090.05106
X-RAY DIFFRACTIONr_ncsr_local_group_1290.0050.05106
X-RAY DIFFRACTIONr_ncsr_local_group_1300.0050.05106
X-RAY DIFFRACTIONr_ncsr_local_group_1310.0080.05106
X-RAY DIFFRACTIONr_ncsr_local_group_1320.0060.05106
X-RAY DIFFRACTIONr_ncsr_local_group_1330.0080.05106
X-RAY DIFFRACTIONr_ncsr_local_group_1340.0090.05106
X-RAY DIFFRACTIONr_ncsr_local_group_1350.0060.05106
X-RAY DIFFRACTIONr_ncsr_local_group_1360.0470.05101
X-RAY DIFFRACTIONr_ncsr_local_group_1370.0060.05106
X-RAY DIFFRACTIONr_ncsr_local_group_1380.0060.0587
X-RAY DIFFRACTIONr_ncsr_local_group_1390.0060.0586
X-RAY DIFFRACTIONr_ncsr_local_group_1400.0060.0587
X-RAY DIFFRACTIONr_ncsr_local_group_1410.0060.0587
X-RAY DIFFRACTIONr_ncsr_local_group_1420.0060.0587
X-RAY DIFFRACTIONr_ncsr_local_group_1430.0060.0587
X-RAY DIFFRACTIONr_ncsr_local_group_1440.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_1450.0060.0587
X-RAY DIFFRACTIONr_ncsr_local_group_1460.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_1470.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_1480.0040.05101
X-RAY DIFFRACTIONr_ncsr_local_group_1490.0040.05102
X-RAY DIFFRACTIONr_ncsr_local_group_1500.0050.05100
X-RAY DIFFRACTIONr_ncsr_local_group_1510.030.05103
X-RAY DIFFRACTIONr_ncsr_local_group_1520.0050.05101
X-RAY DIFFRACTIONr_ncsr_local_group_1530.0040.05100
X-RAY DIFFRACTIONr_ncsr_local_group_1540.0350.05101
X-RAY DIFFRACTIONr_ncsr_local_group_1550.0040.05102
X-RAY DIFFRACTIONr_ncsr_local_group_1560.0270.05102
X-RAY DIFFRACTIONr_ncsr_local_group_1570.0070.0590
X-RAY DIFFRACTIONr_ncsr_local_group_1580.0050.0590
X-RAY DIFFRACTIONr_ncsr_local_group_1590.0060.0590
X-RAY DIFFRACTIONr_ncsr_local_group_1600.0050.0590
X-RAY DIFFRACTIONr_ncsr_local_group_1610.0060.0590
X-RAY DIFFRACTIONr_ncsr_local_group_1620.0050.0590
X-RAY DIFFRACTIONr_ncsr_local_group_1630.0050.0590
X-RAY DIFFRACTIONr_ncsr_local_group_1640.0050.0590
X-RAY DIFFRACTIONr_ncsr_local_group_1650.0060.0589
X-RAY DIFFRACTIONr_ncsr_local_group_1660.0060.05103
X-RAY DIFFRACTIONr_ncsr_local_group_1670.0090.05102
X-RAY DIFFRACTIONr_ncsr_local_group_1680.0060.05103
X-RAY DIFFRACTIONr_ncsr_local_group_1690.0060.05103
X-RAY DIFFRACTIONr_ncsr_local_group_1700.0050.05104
X-RAY DIFFRACTIONr_ncsr_local_group_1710.0040.05103
X-RAY DIFFRACTIONr_ncsr_local_group_1720.0050.05102
X-RAY DIFFRACTIONr_ncsr_local_group_1730.0060.05103
X-RAY DIFFRACTIONr_ncsr_local_group_1740.0060.05103
X-RAY DIFFRACTIONr_ncsr_local_group_1750.0440.05128
X-RAY DIFFRACTIONr_ncsr_local_group_1760.0070.05128
X-RAY DIFFRACTIONr_ncsr_local_group_1770.010.05130
X-RAY DIFFRACTIONr_ncsr_local_group_1780.0070.05130
X-RAY DIFFRACTIONr_ncsr_local_group_1790.0070.05124
X-RAY DIFFRACTIONr_ncsr_local_group_1800.0070.05131
X-RAY DIFFRACTIONr_ncsr_local_group_1810.0080.05128
X-RAY DIFFRACTIONr_ncsr_local_group_1820.0320.05125
X-RAY DIFFRACTIONr_ncsr_local_group_1830.0880.05129
X-RAY DIFFRACTIONr_ncsr_local_group_1840.0060.0587
X-RAY DIFFRACTIONr_ncsr_local_group_1850.0490.0587
X-RAY DIFFRACTIONr_ncsr_local_group_1860.0950.0587
X-RAY DIFFRACTIONr_ncsr_local_group_1870.0060.0586
X-RAY DIFFRACTIONr_ncsr_local_group_1880.0910.0588
X-RAY DIFFRACTIONr_ncsr_local_group_1890.050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_1900.0070.0585
X-RAY DIFFRACTIONr_ncsr_local_group_1910.1070.0587
X-RAY DIFFRACTIONr_ncsr_local_group_1920.0080.0586
X-RAY DIFFRACTIONr_ncsr_local_group_1930.0090.05106
X-RAY DIFFRACTIONr_ncsr_local_group_1940.0090.05106
X-RAY DIFFRACTIONr_ncsr_local_group_1950.0060.05106
X-RAY DIFFRACTIONr_ncsr_local_group_1960.0090.05106
X-RAY DIFFRACTIONr_ncsr_local_group_1970.0050.05106
X-RAY DIFFRACTIONr_ncsr_local_group_1980.0050.05106
X-RAY DIFFRACTIONr_ncsr_local_group_1990.0090.05106
X-RAY DIFFRACTIONr_ncsr_local_group_2000.0460.05101
X-RAY DIFFRACTIONr_ncsr_local_group_2010.0080.05106
X-RAY DIFFRACTIONr_ncsr_local_group_2020.0060.0586
X-RAY DIFFRACTIONr_ncsr_local_group_2030.0040.0587
X-RAY DIFFRACTIONr_ncsr_local_group_2040.0040.0587
X-RAY DIFFRACTIONr_ncsr_local_group_2050.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_2060.0060.0587
X-RAY DIFFRACTIONr_ncsr_local_group_2070.0040.0587
X-RAY DIFFRACTIONr_ncsr_local_group_2080.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_2090.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_2100.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_2110.0040.05102
X-RAY DIFFRACTIONr_ncsr_local_group_2120.0040.05102
X-RAY DIFFRACTIONr_ncsr_local_group_2130.0050.05103
X-RAY DIFFRACTIONr_ncsr_local_group_2140.0040.05101
X-RAY DIFFRACTIONr_ncsr_local_group_2150.0050.05100
X-RAY DIFFRACTIONr_ncsr_local_group_2160.0040.05102
X-RAY DIFFRACTIONr_ncsr_local_group_2170.0050.05103
X-RAY DIFFRACTIONr_ncsr_local_group_2180.0040.05102
X-RAY DIFFRACTIONr_ncsr_local_group_2190.0070.0590
X-RAY DIFFRACTIONr_ncsr_local_group_2200.0080.0590
X-RAY DIFFRACTIONr_ncsr_local_group_2210.0070.0590
X-RAY DIFFRACTIONr_ncsr_local_group_2220.0060.0590
X-RAY DIFFRACTIONr_ncsr_local_group_2230.0060.0590
X-RAY DIFFRACTIONr_ncsr_local_group_2240.0070.0590
X-RAY DIFFRACTIONr_ncsr_local_group_2250.0060.0591
X-RAY DIFFRACTIONr_ncsr_local_group_2260.0080.0589
X-RAY DIFFRACTIONr_ncsr_local_group_2270.0070.05103
X-RAY DIFFRACTIONr_ncsr_local_group_2280.0060.05104
X-RAY DIFFRACTIONr_ncsr_local_group_2290.0060.05104
X-RAY DIFFRACTIONr_ncsr_local_group_2300.0050.05104
X-RAY DIFFRACTIONr_ncsr_local_group_2310.0050.05103
X-RAY DIFFRACTIONr_ncsr_local_group_2320.0050.05103
X-RAY DIFFRACTIONr_ncsr_local_group_2330.0050.05104
X-RAY DIFFRACTIONr_ncsr_local_group_2340.0060.05104
X-RAY DIFFRACTIONr_ncsr_local_group_2350.0440.05126
X-RAY DIFFRACTIONr_ncsr_local_group_2360.0430.05128
X-RAY DIFFRACTIONr_ncsr_local_group_2370.0430.05128
X-RAY DIFFRACTIONr_ncsr_local_group_2380.0420.05122
X-RAY DIFFRACTIONr_ncsr_local_group_2390.0410.05128
X-RAY DIFFRACTIONr_ncsr_local_group_2400.0430.05126
X-RAY DIFFRACTIONr_ncsr_local_group_2410.0540.05125
X-RAY DIFFRACTIONr_ncsr_local_group_2420.0430.05126
X-RAY DIFFRACTIONr_ncsr_local_group_2430.0490.0587
X-RAY DIFFRACTIONr_ncsr_local_group_2440.0950.0587
X-RAY DIFFRACTIONr_ncsr_local_group_2450.0060.0586
X-RAY DIFFRACTIONr_ncsr_local_group_2460.0490.0587
X-RAY DIFFRACTIONr_ncsr_local_group_2470.050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_2480.0050.0585
X-RAY DIFFRACTIONr_ncsr_local_group_2490.0120.0586
X-RAY DIFFRACTIONr_ncsr_local_group_2500.0070.0586
X-RAY DIFFRACTIONr_ncsr_local_group_2510.0060.05106
X-RAY DIFFRACTIONr_ncsr_local_group_2520.0080.05106
X-RAY DIFFRACTIONr_ncsr_local_group_2530.0060.05106
X-RAY DIFFRACTIONr_ncsr_local_group_2540.0080.05106
X-RAY DIFFRACTIONr_ncsr_local_group_2550.0080.05106
X-RAY DIFFRACTIONr_ncsr_local_group_2560.0050.05106
X-RAY DIFFRACTIONr_ncsr_local_group_2570.0470.05101
X-RAY DIFFRACTIONr_ncsr_local_group_2580.0060.05106
X-RAY DIFFRACTIONr_ncsr_local_group_2590.0060.0586
X-RAY DIFFRACTIONr_ncsr_local_group_2600.0060.0586
X-RAY DIFFRACTIONr_ncsr_local_group_2610.0060.0586
X-RAY DIFFRACTIONr_ncsr_local_group_2620.0070.0586
X-RAY DIFFRACTIONr_ncsr_local_group_2630.0060.0586
X-RAY DIFFRACTIONr_ncsr_local_group_2640.0050.0586
X-RAY DIFFRACTIONr_ncsr_local_group_2650.0050.0586
X-RAY DIFFRACTIONr_ncsr_local_group_2660.0060.0586
X-RAY DIFFRACTIONr_ncsr_local_group_2670.0040.05101
X-RAY DIFFRACTIONr_ncsr_local_group_2680.0040.05103
X-RAY DIFFRACTIONr_ncsr_local_group_2690.0630.05103
X-RAY DIFFRACTIONr_ncsr_local_group_2700.0040.05100
X-RAY DIFFRACTIONr_ncsr_local_group_2710.0040.05101
X-RAY DIFFRACTIONr_ncsr_local_group_2720.0040.05103
X-RAY DIFFRACTIONr_ncsr_local_group_2730.0030.05102
X-RAY DIFFRACTIONr_ncsr_local_group_2740.0040.0590
X-RAY DIFFRACTIONr_ncsr_local_group_2750.0050.0590
X-RAY DIFFRACTIONr_ncsr_local_group_2760.0050.0590
X-RAY DIFFRACTIONr_ncsr_local_group_2770.0050.0590
X-RAY DIFFRACTIONr_ncsr_local_group_2780.0050.0590
X-RAY DIFFRACTIONr_ncsr_local_group_2790.0050.0591
X-RAY DIFFRACTIONr_ncsr_local_group_2800.060.0590
X-RAY DIFFRACTIONr_ncsr_local_group_2810.0050.05103
X-RAY DIFFRACTIONr_ncsr_local_group_2820.0050.05103
X-RAY DIFFRACTIONr_ncsr_local_group_2830.0070.05103
X-RAY DIFFRACTIONr_ncsr_local_group_2840.0080.05102
X-RAY DIFFRACTIONr_ncsr_local_group_2850.0070.05102
X-RAY DIFFRACTIONr_ncsr_local_group_2860.0070.05103
X-RAY DIFFRACTIONr_ncsr_local_group_2870.0060.05103
X-RAY DIFFRACTIONr_ncsr_local_group_2880.0080.05128
X-RAY DIFFRACTIONr_ncsr_local_group_2890.0070.05129
X-RAY DIFFRACTIONr_ncsr_local_group_2900.0060.05125
X-RAY DIFFRACTIONr_ncsr_local_group_2910.0070.05129
X-RAY DIFFRACTIONr_ncsr_local_group_2920.1060.05138
X-RAY DIFFRACTIONr_ncsr_local_group_2930.0990.05139
X-RAY DIFFRACTIONr_ncsr_local_group_2940.0060.05129
X-RAY DIFFRACTIONr_ncsr_local_group_2950.1210.0589
X-RAY DIFFRACTIONr_ncsr_local_group_2960.0060.0586
X-RAY DIFFRACTIONr_ncsr_local_group_2970.0060.0587
X-RAY DIFFRACTIONr_ncsr_local_group_2980.0320.0588
X-RAY DIFFRACTIONr_ncsr_local_group_2990.0070.0585
X-RAY DIFFRACTIONr_ncsr_local_group_3000.1130.0588
X-RAY DIFFRACTIONr_ncsr_local_group_3010.0130.0588
X-RAY DIFFRACTIONr_ncsr_local_group_3020.0090.05106
X-RAY DIFFRACTIONr_ncsr_local_group_3030.0060.05106
X-RAY DIFFRACTIONr_ncsr_local_group_3040.0080.05106
X-RAY DIFFRACTIONr_ncsr_local_group_3050.0080.05106
X-RAY DIFFRACTIONr_ncsr_local_group_3060.0060.05106
X-RAY DIFFRACTIONr_ncsr_local_group_3070.0460.05101
X-RAY DIFFRACTIONr_ncsr_local_group_3080.0050.05106
X-RAY DIFFRACTIONr_ncsr_local_group_3090.0040.0587
X-RAY DIFFRACTIONr_ncsr_local_group_3100.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_3110.0070.0587
X-RAY DIFFRACTIONr_ncsr_local_group_3120.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_3130.0050.0588
X-RAY DIFFRACTIONr_ncsr_local_group_3140.0060.0587
X-RAY DIFFRACTIONr_ncsr_local_group_3150.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_3160.0040.05102
X-RAY DIFFRACTIONr_ncsr_local_group_3170.0040.05101
X-RAY DIFFRACTIONr_ncsr_local_group_3180.0040.05100
X-RAY DIFFRACTIONr_ncsr_local_group_3190.0040.05102
X-RAY DIFFRACTIONr_ncsr_local_group_3200.0050.05102
X-RAY DIFFRACTIONr_ncsr_local_group_3210.0030.05101
X-RAY DIFFRACTIONr_ncsr_local_group_3220.0060.0590
X-RAY DIFFRACTIONr_ncsr_local_group_3230.0060.0590
X-RAY DIFFRACTIONr_ncsr_local_group_3240.0060.0590
X-RAY DIFFRACTIONr_ncsr_local_group_3250.0060.0590
X-RAY DIFFRACTIONr_ncsr_local_group_3260.0060.0590
X-RAY DIFFRACTIONr_ncsr_local_group_3270.0050.0589
X-RAY DIFFRACTIONr_ncsr_local_group_3280.0050.05104
X-RAY DIFFRACTIONr_ncsr_local_group_3290.0050.05104
X-RAY DIFFRACTIONr_ncsr_local_group_3300.0050.05103
X-RAY DIFFRACTIONr_ncsr_local_group_3310.0050.05103
X-RAY DIFFRACTIONr_ncsr_local_group_3320.0050.05104
X-RAY DIFFRACTIONr_ncsr_local_group_3330.0050.05104
X-RAY DIFFRACTIONr_ncsr_local_group_3340.0080.05130
X-RAY DIFFRACTIONr_ncsr_local_group_3350.0070.05124
X-RAY DIFFRACTIONr_ncsr_local_group_3360.0080.05130
X-RAY DIFFRACTIONr_ncsr_local_group_3370.0090.05128
X-RAY DIFFRACTIONr_ncsr_local_group_3380.0350.05125
X-RAY DIFFRACTIONr_ncsr_local_group_3390.0070.05128
X-RAY DIFFRACTIONr_ncsr_local_group_3400.0950.0586
X-RAY DIFFRACTIONr_ncsr_local_group_3410.1270.0588
X-RAY DIFFRACTIONr_ncsr_local_group_3420.110.0588
X-RAY DIFFRACTIONr_ncsr_local_group_3430.0070.0585
X-RAY DIFFRACTIONr_ncsr_local_group_3440.0170.0589
X-RAY DIFFRACTIONr_ncsr_local_group_3450.0980.0586
X-RAY DIFFRACTIONr_ncsr_local_group_3460.0090.05106
X-RAY DIFFRACTIONr_ncsr_local_group_3470.0060.05106
X-RAY DIFFRACTIONr_ncsr_local_group_3480.0060.05106
X-RAY DIFFRACTIONr_ncsr_local_group_3490.0090.05106
X-RAY DIFFRACTIONr_ncsr_local_group_3500.0470.05101
X-RAY DIFFRACTIONr_ncsr_local_group_3510.0080.05106
X-RAY DIFFRACTIONr_ncsr_local_group_3520.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_3530.0070.0587
X-RAY DIFFRACTIONr_ncsr_local_group_3540.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_3550.0060.0587
X-RAY DIFFRACTIONr_ncsr_local_group_3560.0060.0587
X-RAY DIFFRACTIONr_ncsr_local_group_3570.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_3580.0070.05102
X-RAY DIFFRACTIONr_ncsr_local_group_3590.0040.05100
X-RAY DIFFRACTIONr_ncsr_local_group_3600.0060.05103
X-RAY DIFFRACTIONr_ncsr_local_group_3610.0040.05104
X-RAY DIFFRACTIONr_ncsr_local_group_3620.0050.05103
X-RAY DIFFRACTIONr_ncsr_local_group_3630.0050.0590
X-RAY DIFFRACTIONr_ncsr_local_group_3640.0060.0590
X-RAY DIFFRACTIONr_ncsr_local_group_3650.0060.0590
X-RAY DIFFRACTIONr_ncsr_local_group_3660.0060.0590
X-RAY DIFFRACTIONr_ncsr_local_group_3670.0050.0589
X-RAY DIFFRACTIONr_ncsr_local_group_3680.0050.05104
X-RAY DIFFRACTIONr_ncsr_local_group_3690.0050.05103
X-RAY DIFFRACTIONr_ncsr_local_group_3700.0060.05103
X-RAY DIFFRACTIONr_ncsr_local_group_3710.0050.05104
X-RAY DIFFRACTIONr_ncsr_local_group_3720.0050.05104
X-RAY DIFFRACTIONr_ncsr_local_group_3730.0070.05124
X-RAY DIFFRACTIONr_ncsr_local_group_3740.0070.05131
X-RAY DIFFRACTIONr_ncsr_local_group_3750.0090.05128
X-RAY DIFFRACTIONr_ncsr_local_group_3760.0320.05125
X-RAY DIFFRACTIONr_ncsr_local_group_3770.0080.05129
X-RAY DIFFRACTIONr_ncsr_local_group_3780.0060.0586
X-RAY DIFFRACTIONr_ncsr_local_group_3790.0060.0586
X-RAY DIFFRACTIONr_ncsr_local_group_3800.0070.0586
X-RAY DIFFRACTIONr_ncsr_local_group_3810.1080.0586
X-RAY DIFFRACTIONr_ncsr_local_group_3820.0060.0586
X-RAY DIFFRACTIONr_ncsr_local_group_3830.0080.05106
X-RAY DIFFRACTIONr_ncsr_local_group_3840.0090.05106
X-RAY DIFFRACTIONr_ncsr_local_group_3850.0070.05106
X-RAY DIFFRACTIONr_ncsr_local_group_3860.0470.05101
X-RAY DIFFRACTIONr_ncsr_local_group_3870.0070.05106
X-RAY DIFFRACTIONr_ncsr_local_group_3880.0070.0587
X-RAY DIFFRACTIONr_ncsr_local_group_3890.0040.0587
X-RAY DIFFRACTIONr_ncsr_local_group_3900.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_3910.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_3920.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_3930.0040.05100
X-RAY DIFFRACTIONr_ncsr_local_group_3940.0040.05101
X-RAY DIFFRACTIONr_ncsr_local_group_3950.0060.05102
X-RAY DIFFRACTIONr_ncsr_local_group_3960.0030.05101
X-RAY DIFFRACTIONr_ncsr_local_group_3970.0040.0590
X-RAY DIFFRACTIONr_ncsr_local_group_3980.0050.0590
X-RAY DIFFRACTIONr_ncsr_local_group_3990.0060.0590
X-RAY DIFFRACTIONr_ncsr_local_group_4000.0060.0589
X-RAY DIFFRACTIONr_ncsr_local_group_4010.0050.05103
X-RAY DIFFRACTIONr_ncsr_local_group_4020.0060.05103
X-RAY DIFFRACTIONr_ncsr_local_group_4030.0050.05104
X-RAY DIFFRACTIONr_ncsr_local_group_4040.0060.05104
X-RAY DIFFRACTIONr_ncsr_local_group_4050.0050.05124
X-RAY DIFFRACTIONr_ncsr_local_group_4060.0070.05124
X-RAY DIFFRACTIONr_ncsr_local_group_4070.0330.05124
X-RAY DIFFRACTIONr_ncsr_local_group_4080.0060.05124
X-RAY DIFFRACTIONr_ncsr_local_group_4090.1040.0588
X-RAY DIFFRACTIONr_ncsr_local_group_4100.0720.0586
X-RAY DIFFRACTIONr_ncsr_local_group_4110.1140.0587
X-RAY DIFFRACTIONr_ncsr_local_group_4120.0070.0586
X-RAY DIFFRACTIONr_ncsr_local_group_4130.0050.05106
X-RAY DIFFRACTIONr_ncsr_local_group_4140.0080.05106
X-RAY DIFFRACTIONr_ncsr_local_group_4150.0460.05101
X-RAY DIFFRACTIONr_ncsr_local_group_4160.0070.05106
X-RAY DIFFRACTIONr_ncsr_local_group_4170.0070.0587
X-RAY DIFFRACTIONr_ncsr_local_group_4180.0070.0587
X-RAY DIFFRACTIONr_ncsr_local_group_4190.0070.0587
X-RAY DIFFRACTIONr_ncsr_local_group_4200.0070.0587
X-RAY DIFFRACTIONr_ncsr_local_group_4210.0040.05100
X-RAY DIFFRACTIONr_ncsr_local_group_4220.0040.05100
X-RAY DIFFRACTIONr_ncsr_local_group_4230.0040.05100
X-RAY DIFFRACTIONr_ncsr_local_group_4240.0060.0590
X-RAY DIFFRACTIONr_ncsr_local_group_4250.0060.0590
X-RAY DIFFRACTIONr_ncsr_local_group_4260.0050.0589
X-RAY DIFFRACTIONr_ncsr_local_group_4270.0050.05102
X-RAY DIFFRACTIONr_ncsr_local_group_4280.0050.05103
X-RAY DIFFRACTIONr_ncsr_local_group_4290.0050.05103
X-RAY DIFFRACTIONr_ncsr_local_group_4300.0080.05128
X-RAY DIFFRACTIONr_ncsr_local_group_4310.0320.05125
X-RAY DIFFRACTIONr_ncsr_local_group_4320.0880.05130
X-RAY DIFFRACTIONr_ncsr_local_group_4330.0050.0585
X-RAY DIFFRACTIONr_ncsr_local_group_4340.1150.0587
X-RAY DIFFRACTIONr_ncsr_local_group_4350.0070.0586
X-RAY DIFFRACTIONr_ncsr_local_group_4360.0090.05106
X-RAY DIFFRACTIONr_ncsr_local_group_4370.0450.05101
X-RAY DIFFRACTIONr_ncsr_local_group_4380.0080.05106
X-RAY DIFFRACTIONr_ncsr_local_group_4390.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_4400.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_4410.0040.0587
X-RAY DIFFRACTIONr_ncsr_local_group_4420.0040.05102
X-RAY DIFFRACTIONr_ncsr_local_group_4430.010.05103
X-RAY DIFFRACTIONr_ncsr_local_group_4440.0070.0590
X-RAY DIFFRACTIONr_ncsr_local_group_4450.0050.0589
X-RAY DIFFRACTIONr_ncsr_local_group_4460.0060.05103
X-RAY DIFFRACTIONr_ncsr_local_group_4470.0060.05103
X-RAY DIFFRACTIONr_ncsr_local_group_4480.0850.05135
X-RAY DIFFRACTIONr_ncsr_local_group_4490.0080.05128
X-RAY DIFFRACTIONr_ncsr_local_group_4500.0080.0585
X-RAY DIFFRACTIONr_ncsr_local_group_4510.0070.0585
X-RAY DIFFRACTIONr_ncsr_local_group_4520.0470.05101
X-RAY DIFFRACTIONr_ncsr_local_group_4530.0070.05106
X-RAY DIFFRACTIONr_ncsr_local_group_4540.0060.0587
X-RAY DIFFRACTIONr_ncsr_local_group_4550.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_4560.0040.05102
X-RAY DIFFRACTIONr_ncsr_local_group_4570.0430.0590
X-RAY DIFFRACTIONr_ncsr_local_group_4580.0050.05104
X-RAY DIFFRACTIONr_ncsr_local_group_4590.0330.05125
X-RAY DIFFRACTIONr_ncsr_local_group_4600.0070.0585
X-RAY DIFFRACTIONr_ncsr_local_group_4610.0460.05101
X-RAY DIFFRACTIONr_ncsr_local_group_4620.0050.0587
X-RAY DIFFRACTIONr_ncsr_local_group_4630.1040.05659
X-RAY DIFFRACTIONr_ncsr_local_group_4640.1090.05659
X-RAY DIFFRACTIONr_ncsr_local_group_4650.1090.05656
X-RAY DIFFRACTIONr_ncsr_local_group_4660.1160.05654
X-RAY DIFFRACTIONr_ncsr_local_group_4670.1080.05656
X-RAY DIFFRACTIONr_ncsr_local_group_4680.1010.05657
X-RAY DIFFRACTIONr_ncsr_local_group_4690.1080.05657
X-RAY DIFFRACTIONr_ncsr_local_group_4700.1110.05657
X-RAY DIFFRACTIONr_ncsr_local_group_4710.1060.05647
X-RAY DIFFRACTIONr_ncsr_local_group_4720.1210.05659
X-RAY DIFFRACTIONr_ncsr_local_group_4730.1080.05657
X-RAY DIFFRACTIONr_ncsr_local_group_4740.080.05667
X-RAY DIFFRACTIONr_ncsr_local_group_4750.0940.05657
X-RAY DIFFRACTIONr_ncsr_local_group_4760.0940.05664
X-RAY DIFFRACTIONr_ncsr_local_group_4770.080.05660
X-RAY DIFFRACTIONr_ncsr_local_group_4780.0690.05660
X-RAY DIFFRACTIONr_ncsr_local_group_4790.0790.05661
X-RAY DIFFRACTIONr_ncsr_local_group_4800.0830.05664
X-RAY DIFFRACTIONr_ncsr_local_group_4810.0910.05654
X-RAY DIFFRACTIONr_ncsr_local_group_4820.0960.05662
X-RAY DIFFRACTIONr_ncsr_local_group_4830.0830.05671
X-RAY DIFFRACTIONr_ncsr_local_group_4840.0640.05669
X-RAY DIFFRACTIONr_ncsr_local_group_4850.0690.05659
X-RAY DIFFRACTIONr_ncsr_local_group_4860.0550.05665
X-RAY DIFFRACTIONr_ncsr_local_group_4870.0590.05666
X-RAY DIFFRACTIONr_ncsr_local_group_4880.0350.05671
X-RAY DIFFRACTIONr_ncsr_local_group_4890.0580.05670
X-RAY DIFFRACTIONr_ncsr_local_group_4900.0960.05656
X-RAY DIFFRACTIONr_ncsr_local_group_4910.0790.05671
X-RAY DIFFRACTIONr_ncsr_local_group_4920.0540.05671
X-RAY DIFFRACTIONr_ncsr_local_group_4930.0890.05660
X-RAY DIFFRACTIONr_ncsr_local_group_4940.0730.05661
X-RAY DIFFRACTIONr_ncsr_local_group_4950.070.05661
X-RAY DIFFRACTIONr_ncsr_local_group_4960.0640.05667
X-RAY DIFFRACTIONr_ncsr_local_group_4970.0750.05664
X-RAY DIFFRACTIONr_ncsr_local_group_4980.0980.05658
X-RAY DIFFRACTIONr_ncsr_local_group_4990.090.05663
X-RAY DIFFRACTIONr_ncsr_local_group_5000.0850.05672
X-RAY DIFFRACTIONr_ncsr_local_group_5010.0770.05658
X-RAY DIFFRACTIONr_ncsr_local_group_5020.0750.05662
X-RAY DIFFRACTIONr_ncsr_local_group_5030.0720.05659
X-RAY DIFFRACTIONr_ncsr_local_group_5040.0750.05661
X-RAY DIFFRACTIONr_ncsr_local_group_5050.1090.05647
X-RAY DIFFRACTIONr_ncsr_local_group_5060.0930.05654
X-RAY DIFFRACTIONr_ncsr_local_group_5070.0760.05664
X-RAY DIFFRACTIONr_ncsr_local_group_5080.0530.05674
X-RAY DIFFRACTIONr_ncsr_local_group_5090.0450.05672
X-RAY DIFFRACTIONr_ncsr_local_group_5100.0480.05675
X-RAY DIFFRACTIONr_ncsr_local_group_5110.0930.05653
X-RAY DIFFRACTIONr_ncsr_local_group_5120.0880.05661
X-RAY DIFFRACTIONr_ncsr_local_group_5130.050.05671
X-RAY DIFFRACTIONr_ncsr_local_group_5140.0570.05666
X-RAY DIFFRACTIONr_ncsr_local_group_5150.0570.05670
X-RAY DIFFRACTIONr_ncsr_local_group_5160.0950.05653
X-RAY DIFFRACTIONr_ncsr_local_group_5170.0920.05660
X-RAY DIFFRACTIONr_ncsr_local_group_5180.0650.05671
X-RAY DIFFRACTIONr_ncsr_local_group_5190.0520.05673
X-RAY DIFFRACTIONr_ncsr_local_group_5200.0930.05654
X-RAY DIFFRACTIONr_ncsr_local_group_5210.0820.05665
X-RAY DIFFRACTIONr_ncsr_local_group_5220.0520.05668
X-RAY DIFFRACTIONr_ncsr_local_group_5230.1020.05655
X-RAY DIFFRACTIONr_ncsr_local_group_5240.080.05666
X-RAY DIFFRACTIONr_ncsr_local_group_5250.0630.05671
X-RAY DIFFRACTIONr_ncsr_local_group_5260.1080.05653
X-RAY DIFFRACTIONr_ncsr_local_group_5270.1040.05655
X-RAY DIFFRACTIONr_ncsr_local_group_5280.0890.05665
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
3.6-3.6930.2521520.2330861481921.8503
3.693-3.7940.2752320.22545641445133.188
3.794-3.9040.2492840.21665061402148.4274
3.904-4.0230.2544830.201100491366677.0672
4.023-4.1550.276180.195125931324799.7282
4.155-4.30.2496080.185120631271899.6304
4.3-4.4620.2146110.17116671232599.6187
4.462-4.6430.1936320.161112341193799.4052
4.643-4.8480.2346160.16107431144099.292
4.848-5.0840.2025360.147102001083499.0954
5.084-5.3570.2244910.16497821039898.7978
5.357-5.680.2424780.1739166978698.549
5.68-6.0690.2554190.1918648922898.2553
6.069-6.550.2234720.1987942859897.86
6.55-7.1680.2644180.1977239785997.4297
7.168-8.0030.2553310.1816633719296.8298
8.003-9.2180.2042970.1735778631096.2757
9.218-11.2360.2022800.1494821535095.3458
11.236-15.6650.1471780.143748417294.1035
15.665-66.1720.1711150.2162066240690.6484

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