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- PDB-5wnu: Crystal Structure of 30S ribosomal subunit from Thermus thermophilus -

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Basic information

Entry
Database: PDB / ID: 5wnu
TitleCrystal Structure of 30S ribosomal subunit from Thermus thermophilus
Components
  • (30S ribosomal protein ...) x 20
  • 16S Ribosomal RNA rRNA
  • RNA (5'-R(*AP*(A2M)P*A)-3')
  • RNA (5'-R(P*UP*(70U)P*UP*UP*(12A)P*A)-3')
KeywordsRIBOSOME / smFRET / mRNA methylation / translation / decoding
Function / homology
Function and homology information


ribosomal small subunit biogenesis / ribosomal small subunit assembly / small ribosomal subunit / small ribosomal subunit rRNA binding / cytosolic small ribosomal subunit / tRNA binding / rRNA binding / ribosome / structural constituent of ribosome / ribonucleoprotein complex ...ribosomal small subunit biogenesis / ribosomal small subunit assembly / small ribosomal subunit / small ribosomal subunit rRNA binding / cytosolic small ribosomal subunit / tRNA binding / rRNA binding / ribosome / structural constituent of ribosome / ribonucleoprotein complex / translation / mRNA binding / zinc ion binding / metal ion binding / cytoplasm / cytosol
Similarity search - Function
30s ribosomal protein s13; domain 2 / Ribosomal protein S13/S18, C-terminal domain / Ribosomal protein S20 / 30s Ribosomal Protein S19; Chain A / Ribosomal protein S19/S15 / Ribosomal protein S3, C-terminal domain / Ribosomal Protein S14/S29 / 30s Ribosomal Protein S14; Chain N / Ribosomal Protein S7 / Ribosomal protein S7/S5 ...30s ribosomal protein s13; domain 2 / Ribosomal protein S13/S18, C-terminal domain / Ribosomal protein S20 / 30s Ribosomal Protein S19; Chain A / Ribosomal protein S19/S15 / Ribosomal protein S3, C-terminal domain / Ribosomal Protein S14/S29 / 30s Ribosomal Protein S14; Chain N / Ribosomal Protein S7 / Ribosomal protein S7/S5 / Ribosomal protein S6/Translation elongation factor EF1B / Ribosomal protein S3 C-terminal domain / Helix hairpin bin / Dna Ligase; domain 1 - #10 / Ribosomal protein S11/S14 / Ribosomal protein S10 / K homology (KH) domain / Helicase, Ruva Protein; domain 3 - #50 / Glucose-6-phosphate isomerase like protein; domain 1 / Ribosomal Protein S5; domain 2 - #10 / 30S ribosomal protein Thx / 30S ribosomal protein Thx / 30S ribosomal protein / GMP Synthetase; Chain A, domain 3 / Ribosomal Protein S5; domain 2 / Ribosomal protein S14, type Z / Helicase, Ruva Protein; domain 3 / Nucleic acid-binding proteins / Dna Ligase; domain 1 / Methane Monooxygenase Hydroxylase; Chain G, domain 1 / Ribosomal protein S14/S29 / Ribosomal protein S3, bacterial-type / Ribosomal protein S6, conserved site / Ribosomal protein S6 signature. / Ribosomal protein S19, bacterial-type / Ribosomal protein S7, bacterial/organellar-type / Ribosomal protein S11, bacterial-type / Ribosomal protein S13, bacterial-type / Ribosomal protein S20 / Ribosomal protein S20 superfamily / Ribosomal protein S20 / Ribosomal protein S9, bacterial/plastid / Ribosomal protein S4, bacterial-type / 30S ribosomal protein S17 / Ribosomal protein S5, bacterial-type / Ribosomal protein S6, plastid/chloroplast / Ribosomal protein S2, bacteria/mitochondria/plastid / Ribosomal protein S18, conserved site / Ribosomal protein S18 signature. / Ribosomal protein S16 / Ribosomal protein S16 / Ribosomal protein S16 domain superfamily / Ribosomal protein S15, bacterial-type / Ribosomal protein S6 / Ribosomal protein S6 / Ribosomal protein S6 superfamily / Ribosomal protein S12, bacterial-type / Translation elongation factor EF1B/ribosomal protein S6 / Ribosomal protein S18 / Ribosomal protein S18 / Ribosomal protein S18 superfamily / K Homology domain / K homology RNA-binding domain / Few Secondary Structures / Irregular / Ribosomal protein S3, conserved site / Ribosomal protein S3 signature. / Ribosomal protein S10, conserved site / Ribosomal protein S10 signature. / Ribosomal protein S14, conserved site / Ribosomal protein S14 signature. / Ribosomal protein S2 signature 1. / KH domain / Type-2 KH domain profile. / K Homology domain, type 2 / : / Ribosomal protein S3, C-terminal / Ribosomal protein S3, C-terminal domain / Ribosomal protein S3, C-terminal domain superfamily / Ribosomal protein S15/S19, conserved site / Ribosomal protein S19 signature. / Ribosomal protein S10 / Ribosomal protein S19/S15 / Ribosomal protein S19/S15, superfamily / Ribosomal protein S19 / Ribosomal protein S2, conserved site / Ribosomal protein S5, N-terminal, conserved site / Ribosomal protein S5 signature. / Ribosomal protein S7, conserved site / Ribosomal protein S2 / Ribosomal protein S2, flavodoxin-like domain superfamily / Ribosomal protein S2 / Ribosomal protein S7 signature. / K homology domain superfamily, prokaryotic type / Ribosomal protein S17, conserved site / Ribosomal protein S17 signature. / S5 double stranded RNA-binding domain profile. / Ribosomal protein S5 / Ribosomal protein S5, N-terminal / Ribosomal protein S5, N-terminal domain
Similarity search - Domain/homology
Chem-B6M / : / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Small ribosomal subunit protein uS14 / Small ribosomal subunit protein uS17 / Small ribosomal subunit protein uS8 ...Chem-B6M / : / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Small ribosomal subunit protein uS14 / Small ribosomal subunit protein uS17 / Small ribosomal subunit protein uS8 / Small ribosomal subunit protein uS7 / Small ribosomal subunit protein uS2 / Small ribosomal subunit protein uS3 / Small ribosomal subunit protein uS4 / Small ribosomal subunit protein uS9 / Small ribosomal subunit protein uS11 / Small ribosomal subunit protein uS13 / Small ribosomal subunit protein bS20 / Small ribosomal subunit protein uS12 / Small ribosomal subunit protein uS10 / Small ribosomal subunit protein uS19 / Small ribosomal subunit protein uS5 / Small ribosomal subunit protein bTHX / Small ribosomal subunit protein uS15 / Small ribosomal subunit protein bS16 / Small ribosomal subunit protein bS6 / Small ribosomal subunit protein bS18
Similarity search - Component
Biological speciesThermus thermophilus (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 3.4 Å
AuthorsDeMirci, H.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM51266 and GM099687 United States
CitationJournal: Nat. Struct. Mol. Biol. / Year: 2018
Title: 2'-O-methylation in mRNA disrupts tRNA decoding during translation elongation.
Authors: Choi, J. / Indrisiunaite, G. / DeMirci, H. / Ieong, K.W. / Wang, J. / Petrov, A. / Prabhakar, A. / Rechavi, G. / Dominissini, D. / He, C. / Ehrenberg, M. / Puglisi, J.D.
History
DepositionAug 1, 2017Deposition site: RCSB / Processing site: RCSB
Revision 1.0Feb 21, 2018Provider: repository / Type: Initial release
Revision 1.1Mar 7, 2018Group: Database references / Category: citation / citation_author
Item: _citation.journal_abbrev / _citation.pdbx_database_id_PubMed ..._citation.journal_abbrev / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.name
Revision 1.2Mar 14, 2018Group: Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.3Mar 21, 2018Group: Source and taxonomy / Structure summary
Category: entity / entity_name_com ...entity / entity_name_com / entity_src_nat / pdbx_entity_src_syn
Item: _entity.pdbx_description / _entity.src_method ..._entity.pdbx_description / _entity.src_method / _entity_name_com.entity_id / _pdbx_entity_src_syn.entity_id / _pdbx_entity_src_syn.ncbi_taxonomy_id / _pdbx_entity_src_syn.organism_common_name / _pdbx_entity_src_syn.organism_scientific
Revision 1.4Jan 1, 2020Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.5Oct 21, 2020Group: Data collection / Derived calculations
Category: pdbx_struct_conn_angle / reflns_shell ...pdbx_struct_conn_angle / reflns_shell / struct_conn / struct_conn_type
Item: _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id ..._pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr1_symmetry / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.ptnr3_symmetry / _pdbx_struct_conn_angle.value / _reflns_shell.Rmerge_I_obs / _reflns_shell.pdbx_Rrim_I_all / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_conn.ptnr2_symmetry / _struct_conn_type.id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: 16S Ribosomal RNA rRNA
B: 30S ribosomal protein S2
C: 30S ribosomal protein S3
D: 30S ribosomal protein S4
E: 30S ribosomal protein S5
F: 30S ribosomal protein S6
G: 30S ribosomal protein S7
H: 30S ribosomal protein S8
I: 30S ribosomal protein S9
J: 30S ribosomal protein S10
K: 30S ribosomal protein S11
L: 30S ribosomal protein S12
M: 30S ribosomal protein S13
N: 30S ribosomal protein S14 type Z
O: 30S ribosomal protein S15
P: 30S ribosomal protein S16
Q: 30S ribosomal protein S17
R: 30S ribosomal protein S18
S: 30S ribosomal protein S19
T: 30S ribosomal protein S20
U: 30S ribosomal protein Thx
a: RNA (5'-R(*AP*(A2M)P*A)-3')
b: RNA (5'-R(P*UP*(70U)P*UP*UP*(12A)P*A)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)778,182300
Polymers770,45123
Non-polymers7,731277
Water4,089227
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: mass spectrometry
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
Unit cell
Length a, b, c (Å)400.000, 400.000, 173.000
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number92
Space group name H-MP41212

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Components

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RNA chain , 3 types, 3 molecules Aab

#1: RNA chain 16S Ribosomal RNA rRNA


Mass: 494170.781 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: GenBank: 55771382
#22: RNA chain RNA (5'-R(*AP*(A2M)P*A)-3')


Mass: 956.687 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579
#23: RNA chain RNA (5'-R(P*UP*(70U)P*UP*UP*(12A)P*A)-3')


Mass: 2117.451 Da / Num. of mol.: 1 / Source method: obtained synthetically
Source: (synth.) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)

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30S ribosomal protein ... , 20 types, 20 molecules BCDEFGHIJKLMNOPQRSTU

#2: Protein 30S ribosomal protein S2


Mass: 27217.490 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P80371
#3: Protein 30S ribosomal protein S3


Mass: 22975.588 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P80372
#4: Protein 30S ribosomal protein S4


Mass: 24242.254 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P80373
#5: Protein 30S ribosomal protein S5


Mass: 16460.193 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SHQ5
#6: Protein 30S ribosomal protein S6 / TS9


Mass: 11988.753 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SLP8
#7: Protein 30S ribosomal protein S7


Mass: 17919.775 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P17291
#8: Protein 30S ribosomal protein S8


Mass: 15868.570 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P0DOY9
#9: Protein 30S ribosomal protein S9


Mass: 14279.419 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P80374
#10: Protein 30S ribosomal protein S10


Mass: 11398.308 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SHN7
#11: Protein 30S ribosomal protein S11


Mass: 12606.369 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P80376
#12: Protein 30S ribosomal protein S12


Mass: 13921.479 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SHN3
#13: Protein 30S ribosomal protein S13


Mass: 13365.560 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P80377
#14: Protein 30S ribosomal protein S14 type Z


Mass: 7027.529 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P0DOY6
#15: Protein 30S ribosomal protein S15


Mass: 10447.213 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SJ76
#16: Protein 30S ribosomal protein S16


Mass: 9995.546 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SJH3
#17: Protein 30S ribosomal protein S17


Mass: 11722.904 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P0DOY7
#18: Protein 30S ribosomal protein S18


Mass: 8497.198 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SLQ0
#19: Protein 30S ribosomal protein S19


Mass: 9260.796 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SHP2
#20: Protein 30S ribosomal protein S20


Mass: 10921.086 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P80380
#21: Protein/peptide 30S ribosomal protein Thx / S31


Mass: 3089.655 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: Q5SIH3

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Non-polymers , 5 types, 504 molecules

#24: Chemical...
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 252 / Source method: obtained synthetically / Formula: Mg
#25: Chemical...
ChemComp-K / POTASSIUM ION


Mass: 39.098 Da / Num. of mol.: 22 / Source method: obtained synthetically / Formula: K
#26: Chemical ChemComp-B6M / (1R,2S,3S,4R,6R)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-alpha-L-altropyranosyl)-beta-L-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-allopyranoside


Mass: 615.628 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C23H45N5O14
#27: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Zn
#28: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 227 / Source method: obtained synthetically / Formula: H2O

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 4.49 Å3/Da / Density % sol: 72.61 %
Crystal growTemperature: 298 K / Method: microbatch / pH: 6.5 / Details: 17% MPD

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SSRL / Beamline: BL12-2 / Wavelength: 0.98 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Apr 14, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.98 Å / Relative weight: 1
ReflectionResolution: 2.92→39.801 Å / Num. obs: 295340 / % possible obs: 98.1 % / Observed criterion σ(I): -3 / Redundancy: 76.135 % / Biso Wilson estimate: 161.66 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.716 / Rrim(I) all: 0.72 / Χ2: 0.961 / Net I/σ(I): 8.25 / Num. measured all: 22485694 / Scaling rejects: 20962
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Num. measured obsNum. possibleNum. unique obs% possible allMean I/σ(I) obsCC1/2Rmerge(I) obsRrim(I) all
2.92-2.9939.52714882220971808981.9
2.99-3.0750.5321031512215332041394.8
3.07-3.1674.4141549070209202081799.5
3.16-3.2682.2251672617203772034299.80.01
3.26-3.3783.3081640174197161968899.90.180.117
3.37-3.4981.4971554065190911906999.90.310.199
3.49-3.6276.9211413801184401838099.70.470.312
3.62-3.7785.541520990177961778199.91.060.4936.3326.369
3.77-3.9385.0151447469170391702699.91.710.6574.0314.055
3.93-4.1383.337135972916321163161002.520.7982.8982.915
4.13-4.3580.4631250321155471553999.93.740.8862.0312.043
4.35-4.6179.0651160043147061467299.85.560.9361.3811.39
4.61-4.9384.39117217113896138901008.580.9740.9520.958
4.93-5.3382.971072217129341292399.911.960.9870.6860.69
5.33-5.8378.105927024119091186999.715.980.9920.5050.509
5.83-6.5283.161901294108401083810021.30.9960.3760.378
6.52-7.5382.3897934939631963110033.980.9990.2210.222
7.53-9.2273.8876000338169812199.4480.9990.1340.135
9.22-13.0574.4014771316413641310074.710.0720.073
13.05-39.80164.622276583726352394.691.4410.0440.045

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Processing

Software
NameVersionClassification
PHENIXrefinement
XSCALEdata scaling
PDB_EXTRACT3.22data extraction
XDSdata reduction
PHENIXphasing
RefinementMethod to determine structure: FOURIER SYNTHESIS / Resolution: 3.4→39.801 Å / SU ML: 0.55 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 27.68 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2311 1250 0.68 %
Rwork0.1872 183594 -
obs0.1875 184844 96.83 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 461.55 Å2 / Biso mean: 176.7688 Å2 / Biso min: 76.81 Å2
Refinement stepCycle: final / Resolution: 3.4→39.801 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms18910 32918 629 0 52457
Biso mean--176.98 --
Num. residues----3910
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00156311
X-RAY DIFFRACTIONf_angle_d0.4483534
X-RAY DIFFRACTIONf_chiral_restr0.02810388
X-RAY DIFFRACTIONf_plane_restr0.0034902
X-RAY DIFFRACTIONf_dihedral_angle_d13.3130269
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 9

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
3.4-3.53610.38221130.3553161771629078
3.5361-3.69690.34491310.3292197371986895
3.6969-3.89170.3031420.26982089521037100
3.8917-4.13520.31781420.24342088521027100
4.1352-4.45410.25681440.20772094821092100
4.4541-4.90170.2261420.16942097821120100
4.9017-5.60920.211450.15292108621231100
5.6092-7.06060.22631440.17032119021334100
7.0606-39.80420.19341470.1674216982184599
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
10.49250.2189-0.21680.5969-0.11840.478-0.0006-0.01680.00550.20940.09120.16590.11150.0549-0.08771.17910.16670.07341.1095-0.04111.5028143.28283.168-12.669
21.1893-0.31890.05110.5361-0.08970.51740.0319-0.82170.42510.37930.0283-0.0952-0.22560.1226-0.04541.2804-0.24040.1191.9722-0.6211.6223221.477128.9029.458
32.65511.3802-1.06520.7061-0.70190.3135-0.3203-0.1136-0.6847-0.21670.245-0.51990.27110.12350.07621.47370.17940.0111.4247-0.07981.6874162.74968.975-25.958
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103.66190.41272.42872.743-2.91375.51320.15110.14870.2774-0.66760.4507-0.1883-0.71840.2416-0.57111.85120.01410.72920.8633-0.30352.3451159.345156.035-18.684
111.68912.7711-1.35056.3734-2.53692.61430.53360.09091.1334-0.25310.3360.7357-1.7879-0.2942-0.84513.06140.08460.86231.02150.67213.6613162.645174.087-23.619
124.1113-0.1634-0.15151.5429-1.20981.133-0.045-1.08560.6250.80870.2536-0.0089-0.6204-0.0408-0.21211.8484-0.0910.08942.691-1.01361.6073204.077141.25233.5
131.8008-2.76071.44529.2029-0.45231.7426-0.1796-1.23650.14510.71740.20781.27640.0478-1.1301-0.04341.1647-0.04410.37253.1195-0.70321.8663188.845132.87417.462
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157.06612.42210.00843.2078-2.43262.47260.1578-1.43211.26680.4579-0.15860.0651-0.67670.78760.20791.86030.02080.12521.3691-0.20771.3195160.676112.32925.119
164.88671.12991.40376.4992-6.22387.27640.3195-0.2560.07041.0884-0.373-0.17640.3695-0.24620.07471.65180.07240.37051.0171-0.28811.2343136.331103.18730.857
176.66310.9214-0.88175.2719-5.21915.19170.5441-2.40671.3622.92120.32991.3388-2.0337-0.1307-0.85952.20480.12020.35741.6037-0.34221.2801132.722109.35547.545
184.77861.3552-4.30257.2903-1.9323.92622.47930.74051.8418-0.5634-0.9263-0.1691-3.6659-0.9827-1.55771.76160.24770.02921.32570.01581.378139.786113.55823.358
192.02131.99852.04094.73764.75214.77730.4648-3.68413.78962.13071.3549-1.59940.64821.5196-1.74211.3154-0.10790.09411.4975-0.46411.4806161.309126.3688.114
204.01952.8854-4.41152.4182-3.28414.8891-0.95940.0551-1.59670.00290.2808-1.2278-0.81920.86020.70831.2016-0.17920.23552.0237-0.70511.873183.295121.987-2.579
213.97930.2254-5.57732.9547-1.09248.0014-0.4235-1.96513.2826-0.26141.41540.0696-0.44221.4036-0.98261.2055-0.38430.08031.4497-0.82771.9361161.269129.1284.432
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289.86833.0603-5.89752.24470.31947.647-0.88211.88360.6286-1.16530.38490.6521.09860.06490.50561.60650.1404-0.03142.03270.06921.1696173.493114.805-93.667
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303.78844.64814.78915.72915.89856.048-1.4748-0.48431.7015-2.10851.06683.1622-2.4706-2.25280.46631.8770.237-0.21912.0620.77792.2032164.957131.429-73.583
315.83662.694-5.09767.8259-5.10265.6031.7283-1.18938.20640.3757-1.70173.8093-0.9508-1.384-0.16711.1506-0.03570.30441.6467-0.41932.9743216.492142.526-23.222
323.5034.2493-4.07885.39-5.08284.8262-1.20470.6746-2.99210.49831.0388-1.19482.392-0.92160.23131.7553-0.22450.19081.20450.02312.8947238.42151.984-24.769
339.3616-4.333.11983.083-3.92586.937-1.6098-0.11540.15191.03240.706-1.2338-0.96310.59890.78091.3052-0.16260.12711.4424-0.66521.8466244.21142.629-22.541
342.3128-2.67520.97873.7825-3.16866.368-0.47071.00331.5996-0.93560.73641.6886-0.56250.4786-0.21152.1396-1.36250.43921.822-0.30372.4224252.572146.853-36.787
353.94986.0695.14099.69836.89917.5686-0.23881.541.5004-0.81340.07670.4422-0.04730.78030.17841.25560.2870.11761.53030.36241.2643232.265136.363-37.542
365.15266.61065.55128.46547.1215.97121.38710.0886-0.52671.7582-0.6888-0.59723.02221.5067-0.64722.02110.2685-0.43591.99070.13631.4919218.692124.373-38.83
376.3454-5.24136.29144.3917-5.70469.70720.1202-0.5995-1.2120.36910.59061.22440.0539-1.665-0.74561.1536-0.29550.4771.3172-0.05952.2825234.019135.261-30.704
385.0647-5.21085.44178.4921-3.94026.69320.44282.62160.8485-0.62340.069-0.77010.58744.1414-0.22841.0497-0.19090.67352.0835-0.05541.9219249.688134.042-30.287
397.46173.84725.22552.61262.62514.7273-1.06525.8451-4.9192-2.3411.7222-2.87292.86181.548-0.63561.83040.14740.10471.7989-0.5861.6005236.724128.128-40.342
404.4613-4.6978-5.16334.95625.44836.00370.2734-2.69715.5353.07140.51491.9052-2.268-0.6678-0.77292.0380.31720.17711.5314-0.422.0375218.744125.182-44.504
417.37311.8031-1.42522.1817-2.18372.2010.1954-0.1939-1.0075-1.2659-0.0551-0.48021.3671.7624-0.16271.05570.31950.31081.0857-0.07971.3552139.425122.4-30.821
429.00146.69446.92495.01195.17825.33760.25530.6186-0.0049-0.5753-0.4011-0.7451-0.92740.27080.18861.07150.08160.26161.10980.11591.4562138.49132.076-31.885
438.03275.07794.13993.26172.55032.2844-0.9706-0.03850.7118-0.0821-0.11742.538-1.0234-1.74111.13311.14090.21340.07471.2450.33931.7677125.829125.473-27.72
443.69580.79164.49384.83982.09875.7571-0.8144-0.18980.37-0.73380.35842.6599-3.1788-1.44880.45231.59030.0763-0.03291.01830.23922.1386129.745132.865-30.037
455.29114.87565.22994.51684.81145.1712-0.08931.37710.7953-0.24190.8427-1.7309-1.27760.075-0.69731.10860.14410.12061.16010.19641.9253132.845131.65-39.053
466.49517.54623.23482.01075.40459.1764-0.4569-2.56863.68840.5975-0.41691.9687-1.2915-0.90720.87991.56070.12360.4671.0765-0.42232.462144.647139.809-17.101
472.47652.69484.12553.03244.59266.91720.2751-1.05391.3948-0.3827-0.65630.7605-1.0045-0.32850.3161.21630.27870.13091.0826-0.08791.7307142.646129.141-18.853
484.53844.607-6.41134.6727-6.5249.4319-1.55270.0129-0.26420.42291.0138-0.39320.25520.11950.47851.17770.14260.0011.4088-0.01541.1699133.256108.601-24.604
491.8754-2.11831.29988.93333.22174.2594-1.939-1.7471-4.25562.2441.31922.56992.50841.28230.55441.1460.62690.59411.59670.48942.6412124.707109.512-12.473
503.28322.92140.05743.73671.78132.7137-0.1777-1.8874-5.23610.59130.0138-4.94421.75351.40320.16641.43360.03760.04411.3950.06742.2953133.375118.891-8.69
518.06343.73545.37656.76764.48094.3715-0.7727-1.4155-0.33610.7828-1.00540.40161.9180.33151.68361.2450.03210.42261.41110.32011.6141125.495118.427-19.148
527.72997.9304-4.28819.92-5.84073.5425-0.63620.00912.58880.8928-0.1795-1.0661-1.4782-2.28340.75420.90070.22470.32981.4765-0.12362.7343121.736119.661-15.622
532.28762.69463.25113.26844.27297.91260.9919-0.806-4.07231.6574-0.128-2.14950.6378-0.1592-0.99221.10480.13510.0321.0280.40291.6269130.484116.902-19.286
549.5779-6.6946-5.80717.93270.81486.79030.4489-0.86270.5193-0.3247-0.0311.9564-0.39450.4515-0.52011.5319-0.41970.41761.6622-0.82243.4019238.278166.353-4.811
556.68332.39795.54632.98430.78725.2822-0.11150.5799-0.53050.5332-0.5023-2.0089-0.73462.61410.51580.8619-0.5931-0.61232.0309-0.52862.5903248.871161.511-3.966
561.571-3.29611.4336.8832-3.19512.88750.09530.02991.6338-0.1467-1.2802-1.31620.22520.86151.15291.1262-0.32950.32581.5729-0.03752.0744243.738158.207-13.646
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594.77381.99860.14578.3061-2.44851.0552-0.1781-0.19550.98960.54830.4151-0.7281-0.27210.1536-0.29771.4393-0.35050.21822.1799-0.90712.0518224.95147.265-6.682
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619.95056.54036.60334.32514.67486.7258-0.93570.68960.72131.98130.76121.621-0.98780.62610.23781.98840.1189-0.16122.1522-0.96422.6493220.598162.45526.811
623.8173-4.89022.91446.4878-3.14563.59130.7929-0.52490.99330.7672-0.88540.8084-2.1867-0.4580.17632.3821-0.22450.35272.1652-1.57592.9028226.328165.80623.047
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823.6145-0.72250.16259.48643.32259.446-0.1941-1.3399-0.12050.1006-0.10341.6419-0.130.65340.29651.2199-0.16120.25092.2205-0.11671.8215239.078102.9282.381
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842.00021.9994-7.97888.17835.79675.5382-1.4958-10.4415.40285.91496.5194-5.06623.22364.723-5.07623.0667-0.9913-0.3813.9762-0.41411.941230.433118.84139.355
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864.3677-3.9910.67284.37010.74282.6504-0.0910.28220.96683.50221.614-2.84312.64163.4117-1.57631.7295-0.0355-0.48672.4007-0.60361.7102214.036124.76726.549
878.8251-1.66524.1334.8631-3.07945.6034-0.5575-1.68771.47640.1943-0.6452-0.33840.9665-1.78051.16261.2589-0.18310.16752.2099-0.80091.6941215.378134.32219.939
884.24023.8205-2.68183.5511-2.2032.3032-0.61275.59440.9869-2.89290.4019-0.19-2.3268-0.37460.24811.94690.31720.15192.53170.25121.3435140.866110.939-74.286
893.6954-3.8282-2.00394.04372.59678.0361-0.1071.2670.1876-0.94410.68810.3663-0.355-0.0197-0.48871.3428-0.0799-0.07181.2890.2611.1377144.394104.223-67
904.9642-2.3517-6.02398.23512.23087.35810.3033-2.723-0.32480.21470.20930.40410.62561.2234-0.49191.1326-0.0754-0.30581.45390.09171.1819143.059101.537-56.81
916.7662.0856-5.79973.6391-0.09616.56640.34051.2012-4.9932-1.0448-0.55821.1242.5244-3.06850.11051.2697-0.0947-0.70061.5352-0.21752.3241130.63997.598-64.508
926.73971.68776.86585.8349-1.66889.3810.1523-0.79210.06271.3859-0.12330.6679-0.56710.602-0.02181.86830.09590.48091.2564-0.07081.5339117.50776.515.164
935.66590.55662.95585.67373.22477.36090.1622-0.03262.0648-0.2054-0.06380.2103-0.29180.2791-0.13881.0865-0.01960.38650.9274-0.07881.7696114.95377.0510.608
944.38495.73223.50247.48934.45244.2666-0.4006-0.82172.4116-0.7432-0.93930.9474-2.2151-0.97751.28452.19040.36120.92891.06260.0782.3003109.71486.23420.75
954.254.75014.5375.35335.10434.8677-0.7741-0.00322.3069-2.3992-0.15040.5443-2.7702-1.39710.89631.66050.48620.34541.48210.71712.7929100.65179.2455.818
964.902-5.7799-1.23447.84832.66369.1366-0.2684-1.0553-3.02492.3307-0.47742.26210.6633-0.32530.79471.7542-0.2210.65610.96620.12872.1336101.08774.70616.603
978.43324.3484-3.25929.8442.41135.2747-0.01730.59620.5616-0.95650.6296-0.3434-0.2177-0.7766-0.65291.12630.0545-0.06311.2950.41461.5142119.54680.686-38.423
984.70771.59816.23665.35664.50349.3920.4888-0.3588-0.9976-0.04310.08020.28290.6529-0.473-0.55280.7311-0.07110.04941.0540.20111.213121.57584.495-35.597
996.2753-5.83916.4175.4238-5.96486.5219-0.05881.55050.2410.0055-0.3103-0.35770.02050.68320.34171.5057-0.28490.08051.5332-0.04741.4093137.685.256-44.604
1001.99990.5015-4.24153.10352.32565.05061.0877-2.46215.39513.5619-0.4198-1.182-2.33710.2134-0.47343.1115-0.34690.28530.8962-0.28752.0394180.05139.982-63.975
1013.4044-3.30890.79676.89112.52093.1488-0.9247-1.43410.5232-2.19950.81830.2878-1.4210.26680.09182.89970.05450.80371.6092-0.0732.5829174.389141.103-71.407
1027.0437-5.0958-5.36329.69593.57054.0880.0624-0.0454-0.1264-0.3977-1.195-1.80020.13810.60931.11870.94210.14230.112.05270.14721.8972171.852129.139-76.773
1033.6273.87162.0354.42763.01683.5433-0.17382.00852.5579-2.18440.94261.1242-4.16630.1396-0.8941.44550.05680.63571.21840.70211.5542180.698133.01-74.467
1046.742-4.8661-3.96334.951.2474.78631.3447-1.30921.20931.11240.2509-4.138-1.54883.9289-1.50021.0467-0.021-0.16311.8777-0.43851.4772185.969128.55-66.103
1055.0486-5.1363-5.02355.22955.12294.99971.3659-0.47340.97410.73530.7905-0.3238-0.6986-0.7461-1.99381.3255-0.06080.30331.39150.14111.1162175.3126.99-66.985
1069.68175.04645.02729.26263.05057.88750.04770.5409-0.88420.3660.1514-0.9875-0.71320.3768-0.23081.47040.08340.09351.59730.03771.4441192.508126.09-70.866
1079.75834.1881-6.32116.8164-5.96396.2801-1.61042.27630.7269-1.85570.64541.23212.1045-2.82040.99131.66640.2367-0.11573.2618-0.59312.0362250.821112.26827.738
1089.3254-4.21313.45168.7181-1.74045.9661-2.1481-4.001-0.17654.38351.77781.1322-1.377-3.48040.35081.71920.3604-0.08483.6922-0.21670.9208249.68198.93342.352
1099.5842-3.80931.27533.4314-4.15237.0966-1.38070.72861.40041.4158-0.084-3.6012-0.05491.10681.46971.0935-0.3239-0.36322.6318-0.03091.8757244.99192.29337.403
1101.837-3.4124-4.22069.15888.35339.8033-0.1223-4.68620.38370.8744-0.37740.5433-0.6269-2.72630.54681.32950.5314-0.29114.1067-0.15321.1985245.702104.13829.577
1116.2192-0.33880.95049.3436-3.99664.47460.0201-0.6508-0.92330.057-0.1338-1.7973-0.6469-0.47330.11041.19650.05910.00182.1882-0.16871.5003248.48895.51629.184
1125.7066-1.1645.48556.02970.35095.6286-0.4693-0.2629-0.0174-0.03330.0765-1.33860.21620.35550.36021.8863-0.11360.0352.56320.2232.0026239.98396.45418.056
1137.5069-2.31316.82971.9676-2.15445.710.6116-0.3004-0.3077-0.00160.17480.40320.5258-0.0935-0.80471.2588-0.10750.28060.84390.21121.4318107.38541.873-20.077
1146.8116-3.65065.12334.3123-0.82075.42061.58473.2361.2477-0.8633-0.42871.50620.23-1.5062-1.07561.01850.05730.09382.1670.40941.2605105.14451.444-15.101
1155.07824.22925.29094.34714.26286.0078-0.73411.65570.27190.6299-0.24540.8889-2.76483.41171.00921.2272-0.3627-0.00461.54160.68322.2032102.63652.382-31.595
1166.2845-4.9835-3.47374.13923.78137.3093-0.674-0.6957-1.2478-1.4333-2.15233.36310.7683-3.42552.42721.1192-0.3642-0.26141.6623-0.24922.3292.16547.998-39.288
1176.2881-4.95687.37462.0035-7.65359.1429-1.5677-4.8428-1.35052.95142.38882.0168-1.4673-1.6432-0.99421.28290.01840.34122.5598-1.08952.4884250.09123.8382.792
1186.86633.86595.30243.65543.02534.0946-0.3866-0.80272.6293-1.74870.26190.9095-0.64690.14040.16181.26970.0122-0.06681.0363-0.48562.373246.546129.0354.129
1194.6874-4.6013-4.71234.5344.63224.7525-1.0958-4.81352.40153.88861.1714-1.9148-1.59741.936-0.08282.0907-0.1155-0.25152.7193-0.64211.7652252.792132.44210.268
1207.6885-8.1312-7.51022.00047.27537.5869-1.0312-4.91482.71641.89024.4692-4.38490.47894.7095-3.40034.7094-1.5061-2.03954.31460.03273.3957194.10398.084-3.51
1215.36931.3943-0.08660.49020.72835.79072.2826-3.06750.74440.5539-0.4472-0.86861.32190.7281-1.5854.6008-2.88190.1287.0456-0.09462.5601201.16497.4433.06
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A5 - 920
2X-RAY DIFFRACTION2A921 - 1400
3X-RAY DIFFRACTION3A1401 - 1532
4X-RAY DIFFRACTION4A1533 - 1541
5X-RAY DIFFRACTION5B7 - 25
6X-RAY DIFFRACTION6B26 - 64
7X-RAY DIFFRACTION7B65 - 86
8X-RAY DIFFRACTION8B87 - 122
9X-RAY DIFFRACTION9B123 - 148
10X-RAY DIFFRACTION10B149 - 226
11X-RAY DIFFRACTION11B227 - 240
12X-RAY DIFFRACTION12C2 - 112
13X-RAY DIFFRACTION13C113 - 207
14X-RAY DIFFRACTION14D2 - 34
15X-RAY DIFFRACTION15D35 - 67
16X-RAY DIFFRACTION16D68 - 148
17X-RAY DIFFRACTION17D149 - 181
18X-RAY DIFFRACTION18D182 - 209
19X-RAY DIFFRACTION19E5 - 14
20X-RAY DIFFRACTION20E15 - 27
21X-RAY DIFFRACTION21E28 - 50
22X-RAY DIFFRACTION22E51 - 63
23X-RAY DIFFRACTION23E64 - 79
24X-RAY DIFFRACTION24E80 - 86
25X-RAY DIFFRACTION25E87 - 103
26X-RAY DIFFRACTION26E104 - 140
27X-RAY DIFFRACTION27E141 - 154
28X-RAY DIFFRACTION28F1 - 32
29X-RAY DIFFRACTION29F33 - 92
30X-RAY DIFFRACTION30F93 - 101
31X-RAY DIFFRACTION31G2 - 11
32X-RAY DIFFRACTION32G12 - 20
33X-RAY DIFFRACTION33G21 - 52
34X-RAY DIFFRACTION34G53 - 57
35X-RAY DIFFRACTION35G58 - 79
36X-RAY DIFFRACTION36G80 - 92
37X-RAY DIFFRACTION37G93 - 109
38X-RAY DIFFRACTION38G110 - 129
39X-RAY DIFFRACTION39G130 - 144
40X-RAY DIFFRACTION40G145 - 156
41X-RAY DIFFRACTION41H1 - 18
42X-RAY DIFFRACTION42H19 - 29
43X-RAY DIFFRACTION43H30 - 41
44X-RAY DIFFRACTION44H42 - 53
45X-RAY DIFFRACTION45H54 - 62
46X-RAY DIFFRACTION46H63 - 72
47X-RAY DIFFRACTION47H73 - 85
48X-RAY DIFFRACTION48H86 - 95
49X-RAY DIFFRACTION49H96 - 100
50X-RAY DIFFRACTION50H101 - 106
51X-RAY DIFFRACTION51H107 - 116
52X-RAY DIFFRACTION52H117 - 127
53X-RAY DIFFRACTION53H128 - 138
54X-RAY DIFFRACTION54I2 - 25
55X-RAY DIFFRACTION55I26 - 32
56X-RAY DIFFRACTION56I33 - 53
57X-RAY DIFFRACTION57I54 - 88
58X-RAY DIFFRACTION58I89 - 97
59X-RAY DIFFRACTION59I98 - 117
60X-RAY DIFFRACTION60I118 - 128
61X-RAY DIFFRACTION61J3 - 29
62X-RAY DIFFRACTION62J30 - 42
63X-RAY DIFFRACTION63J43 - 47
64X-RAY DIFFRACTION64J48 - 70
65X-RAY DIFFRACTION65J71 - 78
66X-RAY DIFFRACTION66J79 - 85
67X-RAY DIFFRACTION67J86 - 93
68X-RAY DIFFRACTION68J94 - 100
69X-RAY DIFFRACTION69K11 - 34
70X-RAY DIFFRACTION70K35 - 57
71X-RAY DIFFRACTION71K58 - 75
72X-RAY DIFFRACTION72K76 - 100
73X-RAY DIFFRACTION73K101 - 110
74X-RAY DIFFRACTION74K111 - 126
75X-RAY DIFFRACTION75L5 - 32
76X-RAY DIFFRACTION76L33 - 128
77X-RAY DIFFRACTION77M2 - 14
78X-RAY DIFFRACTION78M15 - 21
79X-RAY DIFFRACTION79M22 - 61
80X-RAY DIFFRACTION80M62 - 83
81X-RAY DIFFRACTION81M84 - 93
82X-RAY DIFFRACTION82M94 - 119
83X-RAY DIFFRACTION83N2 - 11
84X-RAY DIFFRACTION84N12 - 16
85X-RAY DIFFRACTION85N17 - 24
86X-RAY DIFFRACTION86N25 - 29
87X-RAY DIFFRACTION87N30 - 61
88X-RAY DIFFRACTION88O2 - 15
89X-RAY DIFFRACTION89O16 - 49
90X-RAY DIFFRACTION90O50 - 73
91X-RAY DIFFRACTION91O74 - 88
92X-RAY DIFFRACTION92P1 - 19
93X-RAY DIFFRACTION93P20 - 43
94X-RAY DIFFRACTION94P44 - 52
95X-RAY DIFFRACTION95P53 - 62
96X-RAY DIFFRACTION96P63 - 83
97X-RAY DIFFRACTION97Q2 - 17
98X-RAY DIFFRACTION98Q18 - 82
99X-RAY DIFFRACTION99Q83 - 100
100X-RAY DIFFRACTION100R19 - 23
101X-RAY DIFFRACTION101R24 - 28
102X-RAY DIFFRACTION102R29 - 36
103X-RAY DIFFRACTION103R37 - 43
104X-RAY DIFFRACTION104R44 - 52
105X-RAY DIFFRACTION105R53 - 76
106X-RAY DIFFRACTION106R77 - 88
107X-RAY DIFFRACTION107S2 - 12
108X-RAY DIFFRACTION108S13 - 25
109X-RAY DIFFRACTION109S26 - 35
110X-RAY DIFFRACTION110S36 - 40
111X-RAY DIFFRACTION111S41 - 70
112X-RAY DIFFRACTION112S71 - 81
113X-RAY DIFFRACTION113T8 - 66
114X-RAY DIFFRACTION114T67 - 75
115X-RAY DIFFRACTION115T76 - 91
116X-RAY DIFFRACTION116T92 - 106
117X-RAY DIFFRACTION117U2 - 8
118X-RAY DIFFRACTION118U9 - 15
119X-RAY DIFFRACTION119U16 - 25
120X-RAY DIFFRACTION120a1 - 3
121X-RAY DIFFRACTION121b33 - 38

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