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

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Basic information

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


ribosomal small subunit assembly / small ribosomal subunit / cytosolic small ribosomal subunit / tRNA binding / rRNA binding / ribosome / structural constituent of ribosome / ribonucleoprotein complex / translation / mRNA binding ...ribosomal small subunit assembly / small ribosomal subunit / cytosolic small ribosomal subunit / tRNA binding / rRNA binding / ribosome / structural constituent of ribosome / ribonucleoprotein complex / translation / mRNA binding / zinc ion binding / metal ion binding / cytosol / cytoplasm
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 S13, bacterial-type / Ribosomal protein S7, bacterial/organellar-type / Ribosomal protein S11, 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 domain superfamily / Ribosomal protein S16 / 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 S10, conserved site / Ribosomal protein S10 signature. / Ribosomal protein S3, conserved site / Ribosomal protein S3 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 / OB fold (Dihydrolipoamide Acetyltransferase, E2P) / 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 S5, N-terminal, conserved site / Ribosomal protein S5 signature. / Ribosomal protein S2, conserved site / Ribosomal protein S7, conserved site / Ribosomal protein S7 signature. / Ribosomal protein S2 / Ribosomal protein S2, flavodoxin-like domain superfamily / Ribosomal protein S2 / Ribosomal protein S5 / Ribosomal protein S17, conserved site / Ribosomal protein S17 signature. / S5 double stranded RNA-binding domain profile. / K homology domain superfamily, prokaryotic type / Ribosomal protein S5, N-terminal
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: 3.3 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 1.1Feb 28, 2018Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.2Mar 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 1.3Mar 14, 2018Group: Database references / Structure summary / Category: citation / entity / struct
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _entity.pdbx_description / _struct.pdbx_descriptor
Revision 2.0Mar 21, 2018Group: Polymer sequence / Source and taxonomy / Structure summary
Category: entity / entity_name_com ...entity / entity_name_com / entity_poly / entity_src_nat / pdbx_entity_src_syn
Item: _entity.formula_weight / _entity.pdbx_description ..._entity.formula_weight / _entity.pdbx_description / _entity.src_method / _entity_name_com.entity_id / _entity_poly.type
Revision 2.1Jan 1, 2020Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 2.2Oct 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: RIBOSOMAL PROTEIN S2
C: RIBOSOMAL PROTEIN S3
D: RIBOSOMAL PROTEIN S4
E: RIBOSOMAL PROTEIN S5
F: RIBOSOMAL PROTEIN S6
G: RIBOSOMAL PROTEIN S7
H: RIBOSOMAL PROTEIN S8
I: RIBOSOMAL PROTEIN S9
J: RIBOSOMAL PROTEIN S10
K: RIBOSOMAL PROTEIN S11
L: RIBOSOMAL PROTEIN S12
M: RIBOSOMAL PROTEIN S13
N: RIBOSOMAL PROTEIN S14
O: RIBOSOMAL PROTEIN S15
P: RIBOSOMAL PROTEIN S16
Q: RIBOSOMAL PROTEIN S17
R: RIBOSOMAL PROTEIN S18
S: RIBOSOMAL PROTEIN S19
T: RIBOSOMAL PROTEIN S20
U: RIBOSOMAL PROTEIN THX
a: RNA (5'-R(*(A2M)P*AP*AP*UP*U)-3')
b: RNA (5'-R(P*UP*AP*GP*AP*CP*UP*(70U)P*UP*UP*(12A)P*AP*(PSU)P*CP*UP*A)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)781,656300
Polymers773,92523
Non-polymers7,731277
Water4,089227
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: mass spectrometry
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area107890 Å2
ΔGint-810 kcal/mol
Surface area277320 Å2
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(*(A2M)P*AP*AP*UP*U)-3')


Mass: 1569.019 Da / Num. of mol.: 1 / Source method: obtained synthetically
Source: (synth.) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
#23: RNA chain RNA (5'-R(P*UP*AP*GP*AP*CP*UP*(70U)P*UP*UP*(12A)P*AP*(PSU)P*CP*UP*A)-3')


Mass: 4979.135 Da / Num. of mol.: 1 / Source method: obtained synthetically
Source: (synth.) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)

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RIBOSOMAL PROTEIN ... , 20 types, 20 molecules BCDEFGHIJKLMNOPQRSTU

#2: Protein 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 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 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 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 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 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 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 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 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 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 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 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 RIBOSOMAL PROTEIN S14


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 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 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 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 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 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 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 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) (bacteria)
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: 4.47 Å3/Da / Density % sol: 72.49 %
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: 2.91→39.779 Å / Num. obs: 290551 / % possible obs: 96.1 % / Observed criterion σ(I): -3 / Redundancy: 106.621 % / Biso Wilson estimate: 118.34 Å2 / CC1/2: 1 / Rmerge(I) obs: 0.525 / Rrim(I) all: 0.528 / Χ2: 1.044 / Net I/σ(I): 14.94 / Num. measured all: 30978832 / Scaling rejects: 17984
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Mean I/σ(I) obsNum. measured obsNum. possibleNum. unique obs% possible allCC1/2Rmerge(I) obsRrim(I) all
2.91-2.9981.450.011124335221971380462.2
2.99-3.07102.5260.242050417215841999992.70.175
3.07-3.16114.3120.672385467210242086899.30.402
3.16-3.26113.3851.132305680203902033599.70.5757.5787.611
3.26-3.36112.0231.562210892198181973699.60.6815.4555.479
3.36-3.48108.8591.882079855191841910699.60.7294.2244.243
3.48-3.61103.3562.631881288185101820298.30.7913.2463.262
3.61-3.76113.5174.262021396178511780799.80.912.0842.094
3.76-3.93111.4026.251909207171601713899.90.9481.541.547
3.93-4.12109.978.691797792163851634899.80.9731.1631.169
4.12-4.34106.31112.341654619155851556499.90.9880.8440.848
4.34-4.61105.56816.81533267147751452498.30.9910.6140.617
4.61-4.92111.12822.911545897139201391199.90.9970.450.452
4.92-5.32109.36628.431417926129781296599.90.9980.3450.347
5.32-5.83102.46333.71220438119721191199.50.9980.2710.273
5.83-6.51108.77740.471166737108921072698.50.9990.2180.219
6.51-7.52104.58153.351010046965896581000.9990.1480.149
7.52-9.2193.97264.057550678205803597.90.9990.1060.106
9.21-13.0393.91483.916048076440644010010.070.07
13.03-39.77987.42194.79303699373634749310.0480.048

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Processing

Software
NameVersionClassification
PHENIXrefinement
XSCALEdata scaling
PDB_EXTRACT3.22data extraction
XDSdata reduction
PHENIXphasing
RefinementMethod to determine structure: FOURIER SYNTHESIS / Resolution: 3.3→39.779 Å / SU ML: 0.39 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 22.64 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2117 1426 0.69 %
Rwork0.1731 205806 -
obs0.1734 207232 99.35 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 388.44 Å2 / Biso mean: 131.2778 Å2 / Biso min: 50.62 Å2
Refinement stepCycle: final / Resolution: 3.3→39.779 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms18910 33147 565 0 52622
Biso mean--122.52 --
Num. residues----3924
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00256566
X-RAY DIFFRACTIONf_angle_d0.53483932
X-RAY DIFFRACTIONf_chiral_restr0.03210439
X-RAY DIFFRACTIONf_plane_restr0.0034913
X-RAY DIFFRACTIONf_dihedral_angle_d13.89830398
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 10

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
3.3-3.41790.30851420.26942040120543100
3.4179-3.55470.29481420.25952042120563100
3.5547-3.71630.28061390.2322202222036199
3.7163-3.91210.2461420.19242054920691100
3.9121-4.1570.21771420.16862052320665100
4.157-4.47750.18531410.1593203832052499
4.4775-4.92740.19481440.14382067720821100
4.9274-5.63870.1751440.14432074920893100
5.6387-7.09750.20691420.1633206672080999
7.0975-39.78190.20221480.1721212142136299
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)
10.46980.1594-0.1990.3746-0.08340.36550.02650.01270.02390.12070.07530.12330.09230.0339-0.10070.74790.09460.04360.7312-0.02911.0684143.243483.0289-12.9249
21.0164-0.18740.06660.5247-0.06260.40260.0728-0.68330.44960.2939-0.0232-0.0814-0.21580.1185-0.04930.9238-0.24340.12071.4719-0.50061.2682221.0965128.88719.2872
31.87890.7082-0.8950.3534-0.52220.3331-0.2956-0.0622-0.4805-0.21330.2408-0.39070.18510.06170.06120.94080.0855-0.03160.919-0.02611.1729162.526369.0146-26.3293
47.6474-6.17761.06435.2416-1.37462.62920.52671.05773.0344-1.0032-1.7399-5.9521-1.48154.16721.20221.434-0.3440.15422.95080.14762.4621202.7111111.9351-33.6796
56.591-5.07485.67494.0367-4.80386.44060.04810.1791.1397-2.23780.0953-1.4458-0.59770.8893-0.17231.3476-0.06260.3410.57810.00461.6919155.9213155.5917-36.2128
65.4014-1.667-0.81354.03014.54325.31550.5625-0.18680.5394-1.4541-0.25940.189-1.4772-1.1776-0.35031.42930.18220.25660.80770.09611.9984148.5761155.6026-28.1165
78.6215-6.5992-2.29258.97124.44398.34470.6628-0.02242.7023-0.6099-0.1387-1.5063-2.79792.1634-0.61251.3088-0.33690.32310.9739-0.07891.6976165.6939162.26-19.6127
85.18163.43211.47286.6929-3.27584.56440.2698-0.60970.03570.42740.03530.6524-0.82650.0372-0.35350.9832-0.03060.42091.0379-0.55381.8036172.7777157.2068-7.341
96.6454.18254.11164.31575.47887.654-0.36051.01720.5081.00871.859-1.454-0.39142.6057-1.49911.9027-0.41220.33831.6001-0.91882.7734188.7422162.5767-5.366
102.9293-0.49532.19132.8898-2.96194.02630.25480.01040.5221-0.69420.2526-0.1691-0.46770.1466-0.49741.44540.01790.5950.6884-0.22251.9877158.8488156.0809-19.0193
111.65753.1972-0.05696.5682-0.9231.62760.19390.04210.2647-0.6877-0.00010.1527-1.3620.0253-0.22822.8094-0.02080.66790.6940.42073.2306162.0371174.2109-23.9795
124.0036-0.641-0.94461.1948-1.07491.95750.03-0.98040.65270.5940.08940.0467-0.3491-0.2032-0.12591.3188-0.17210.08461.9363-0.85991.3282203.6592141.096433.3537
132.4925-2.85441.03859.7585-0.37611.2212-0.2837-1.02710.11630.60110.2410.73120.064-0.6818-0.02010.8975-0.14850.31512.1799-0.71131.3645188.4646132.909417.1979
142.92571.9092-2.54154.2628-5.51167.1325-0.41520.2737-0.2373-0.39011.32421.34721.0726-0.5969-0.98391.1719-0.0309-0.05630.9923-0.1461.4166155.184109.996137.3642
158.6919-1.22013.66154.0679-2.87914.698-0.0538-0.46730.79590.4983-0.113-0.0458-0.75391.05210.19121.2354-0.10660.04150.7675-0.13740.8935161.0763111.87725.0101
164.29811.32.52818.5534-7.19849.43570.1858-0.16450.23130.3102-0.3176-0.1250.48920.13050.09650.88960.04610.25030.6116-0.23130.8823136.7857102.781530.9116
172.6882-3.55424.19465.3433-6.70338.6593-0.723-1.80230.69612.77030.84021.133-1.4514-0.4172-0.11591.49220.11920.26191.3177-0.18521.0933133.3774108.750747.6618
184.47982.9191-5.56567.5932-3.0456.86691.77580.47931.5735-0.417-0.43380.157-2.7218-0.7304-1.39971.1250.15580.00370.91010.02391.0967140.1519113.19723.5284
196.9186-5.4144-4.51854.22173.52952.9891-0.8092-3.66082.612.47091.3226-0.60310.9920.9908-0.49021.1818-0.06050.05631.6685-0.49061.2206160.9563126.39987.8162
204.10924.91650.24279.5027-3.21863.4245-0.25990.1697-1.5858-0.14460.3067-1.4116-0.65351.8405-0.02040.8264-0.15940.11631.383-0.52921.4193182.9896121.9547-2.8168
213.1204-2.4309-4.85729.17860.14299.3994-0.0892-1.67482.84140.12970.70.3311-0.32420.9026-0.59790.7997-0.17320.08740.9314-0.53791.3748160.9067129.08984.2051
223.0098-1.93963.67287.54961.42966.769-0.3894-0.54832.55130.6522-0.151-0.0647-0.880.12930.56681.081-0.61860.44731.1531-0.40181.508166.6977133.03395.0164
233.14084.5678-0.19367.3603-1.66972.71850.9536-0.97273.70420.8452-0.89742.38550.0012-0.1664-0.2050.90910.11560.2670.8715-0.26811.7898144.2315128.74790.1687
247.4736-4.323-3.79233.21820.63625.3008-0.85192.1769-3.2947-0.4689-0.10461.86531.272-1.20340.99450.715-0.06510.24180.9273-0.23261.353151.6465119.5739-11.1399
254.2147-0.828-5.93036.25340.54988.8817-1.8033-0.7145-1.1060.65360.05570.78661.251-0.23681.69430.98760.25360.26020.797-0.21841.2054144.6941116.16930.6013
265.8984-1.18733.85679.7872.87563.95650.0805-0.1546-0.34910.1103-0.1130.28170.80540.3167-0.0110.5834-0.09510.22490.6703-0.13230.7494152.335120.2946-0.7886
275.0533-4.97714.69334.9036-4.62464.3594-0.77010.09582.31411.002-0.2139-1.2024-1.7294-1.3080.96170.960.2070.14160.9185-0.2251.7598135.5289133.5492-9.7156
287.30854.0231-4.2412.6139-0.88938.417-1.17122.1380.2273-1.46530.8310.44550.3116-0.17440.30771.15780.0762-0.04431.77770.02190.872173.1379114.8343-93.9208
299.7143-0.26367.07128.56742.2038.19280.67351.24690.0082-0.7248-0.30140.028-0.0097-0.1125-0.38310.92140.12250.16131.29620.10880.7387174.0233115.7591-87.5806
305.71262.21335.62672.27592.16115.5375-1.6385-0.82312.0311-2.39980.66714.162-2.7933-2.24350.97321.53570.2139-0.20081.65510.40391.6719164.6524131.5235-73.8071
317.19445.6679-4.61014.6329-3.77373.07661.6026-1.61376.87170.5195-0.95412.515-0.7644-0.5036-0.67730.9677-0.17630.41781.3576-0.5042.5151216.3472142.6532-23.4042
324.25964.8047-4.13376.6976-7.43239.9975-1.31870.2898-4.32411.01080.3929-0.2492.9652-0.75370.97311.364-0.08120.28520.94990.01142.2553238.2667152.02-24.9047
335.0872-5.2567-0.0357.8719-2.3159.4201-0.7418-0.04790.32140.35920.4693-1.2285-0.5830.98650.30840.7262-0.1870.08370.9654-0.3811.5176243.9463142.6169-22.7327
345.1069-5.68963.98256.9544-4.15843.8046-0.19390.87681.1097-0.8121.20372.46640.1432-0.5075-1.0381.4431-1.07230.26811.99870.05431.9196252.3903146.7597-36.9044
353.49244.2414.35327.55074.43715.65370.21561.52251.3258-0.4582-0.15210.43110.1808-0.03230.03670.94950.18380.24381.23030.171.0841232.0245136.3362-37.6539
365.77137.27036.92289.2468.41249.21740.8941-0.08110.20561.1519-0.15840.65812.00670.7288-0.64871.28970.0561-0.26551.53930.07871.352218.3925124.4945-38.909
377.5565-6.63234.65657.3862-2.84234.9909-0.1563-0.3752-0.84360.19230.21580.90010.4512-1.0635-0.1240.8514-0.25020.33371.0356-0.0271.5673233.7908135.331-30.8382
389.8319-6.57637.48498.6961-4.54975.90730.15331.97890.4034-0.33810.2588-0.2254-0.01992.6847-0.24880.8507-0.17620.46771.23980.04461.5226249.3927133.981-30.4126
396.38035.18153.41854.22353.10268.3142-0.85873.9036-3.8957-1.40530.9496-2.28832.18441.5549-0.04761.14440.11920.15291.3342-0.30211.4285236.4192128.1348-40.4785
404.0762-4.9805-4.36356.14245.38394.72370.4081-1.62034.38573.1829-0.51071.8379-2.5845-1.5840.11211.8850.28630.15131.5537-0.38641.8739218.4367125.2334-44.5995
415.77144.16991.41643.1050.03969.88080.3260.0138-0.1844-0.66320.3214-0.69220.93741.2969-0.71680.67220.21640.1670.76540.01961.053139.0673122.4082-31.0488
428.12266.41266.12668.72436.93025.81150.2617-0.31870.686-0.5336-0.48370.1012-0.8569-0.60710.24050.80080.0170.28620.78920.03731.3285138.086132.0848-32.0921
438.94415.38854.23286.27035.82745.5886-0.539-0.20250.62530.044-0.21182.5078-0.6274-1.55060.78950.7630.14980.10830.88740.3411.2804125.4835125.3676-27.9178
447.4462.87075.74552.65513.10545.1073-1.18220.10260.8495-0.64570.32111.9203-2.4772-1.03520.83921.21820.0910.04370.6960.15531.7002129.3303132.7814-30.2949
454.85414.8755.48688.65643.75737.0213-0.15061.00611.6797-1.27310.2491-1.7327-1.99910.3155-0.0840.84830.25990.17390.87690.28041.7226132.4687131.6215-39.2179
465.57575.78733.00227.14724.09952.4608-0.1246-1.49152.78760.4804-0.08530.7382-0.7842-0.55820.20991.05270.08560.3650.9279-0.19161.7429144.2114139.8578-17.3758
477.01695.39512.47984.25442.61415.05880.3292-1.06571.0320.0746-0.79871.5041-0.4883-0.14130.52560.80540.12280.18670.6377-0.08851.2783142.2879129.1454-19.1332
485.84665.0765-5.19044.5124-4.54794.6219-1.62620.34520.10730.32150.9571-0.79391.29840.66250.64730.71270.10780.07380.8041-0.03660.9234133.0074108.5594-24.8191
490.91680.40982.00911.59161.52754.6832-1.5345-1.8932-4.30981.34691.30861.1912.37231.24360.22780.79240.23110.30880.98030.27892.2934124.5608109.4325-12.7047
506.10686.28016.24466.45466.42036.38720.7839-2.4499-3.85191.4988-0.0312-3.68571.2324-0.4195-0.67431.1219-0.1574-0.14861.13160.09211.4351133.2418118.9106-8.9525
513.1452.13175.21987.06224.17988.7667-0.1551-1.3059-1.33790.8899-0.4052-0.12291.3407-0.08650.61360.7450.05460.27550.80630.26181.2379125.2314118.4122-19.3595
526.71660.78250.53165.8171-5.26134.9901-0.2218-0.77582.80530.68470.0932-0.8282-1.4448-1.40260.14460.82250.17730.42471.0461-0.03922.0231121.4567119.5404-15.8495
535.25255.50755.40075.80265.90338.47690.80740.1013-2.57740.92680.3223-1.48570.83920.171-1.23290.72680.17030.15450.68690.27211.2709130.2285116.8372-19.4637
543.0554-3.69-3.16375.18952.95018.51020.6842-0.52740.9641-0.2765-0.27920.548-1.0150.7139-0.40071.3074-0.26150.44181.2208-0.62542.7445238.169166.3162-4.6674
551.3552-1.68382.00056.5077-5.68787.05190.1258-0.0019-0.3081.3877-1.052-2.5083-1.84363.01730.86571.0776-0.6072-0.35871.7364-0.56542.1819248.7618161.5593-3.7915
561.1594-1.83351.64784.9829-5.05796.7717-0.35790.32721.63370.0313-1.282-1.4247-0.18160.94621.60040.9973-0.32550.25481.2287-0.27072.0093243.643158.1927-13.4727
572.4763-4.45511.07299.1609-4.11244.5665-0.07210.13651.43560.6606-0.12960.094-1.21941.30380.15061.1831-0.4282-0.10871.2351-0.50522.6705238.3936164.299-8.5752
589.14126.32746.58114.92253.02579.051-0.64580.83481.2492-0.83990.50470.5562-1.70620.31380.11121.1568-0.14490.04650.9106-0.14153.1888228.2853172.0397-17.4139
595.61193.0486-1.18854.7211-4.29974.6073-0.0717-0.1691.20130.3390.1799-0.4233-0.42050.033-0.10961.0485-0.37890.26731.5076-0.68521.6732224.6557147.1394-6.5829
607.5013-7.55280.798.7118-3.99529.38-0.36560.3227-0.7409-1.63511.293-1.7591.7338-0.6099-0.91261.2223-0.3898-0.0211.7584-0.60911.2879221.2083123.996-7.0249
617.41556.23971.23146.1380.31323.5010.24420.629-0.28541.32890.59710.3469-0.70250.6915-0.72111.1954-0.1470.00051.7484-0.85441.7712220.3068162.334526.8369
620.9366-2.03480.30574.392-0.7668.0659-0.1681-0.48291.21140.0668-0.30480.5105-2.6092-0.19740.54661.8757-0.46770.11111.6623-1.20922.3939226.1355165.686623.1165
637.55094.92490.34284.13221.80232.7088-0.26530.92370.24340.98370.90890.4062-0.6371.9276-0.67911.6658-0.46190.72762.3462-0.45651.4627223.6177141.968817.0925
645.1187-0.8295-2.82741.7631-2.15415.7269-0.79790.2937-0.2384-2.71721.1792-2.0185-1.1301-0.2569-0.44271.1166-0.2030.33331.6025-0.71351.4186216.6787135.290113.0827
652.2116-3.0812-4.04544.30595.78588.9222-0.2575-0.80961.09172.3615-0.8985-0.1824-1.6204-0.15541.27392.3898-0.8966-0.14242.2043-1.42152.7866229.3288169.053930.2682
665.088-5.37342.13335.6746-2.27131.2092-0.4016-1.3661.29210.7111.0221-0.8559-1.21620.5955-0.6842.32410.8580.4252.2402-1.20032.8176222.3968171.774939.3151
674.6942-6.0472-6.38459.11468.52288.74772.3451-0.7226-1.79620.7521-0.1364-0.502-0.11310.1695-2.16922.12930.257-0.37044.0289-0.90551.6605214.5662160.030635.1835
681.88272.61172.83531.99957.53636.2687-2.06045.2305-4.1629-0.49083.0672-3.16770.30134.8028-0.99321.59320.2778-0.24253.1624-0.91361.9521226.3846156.341832.9389
699.7123-3.11945.94287.3852-5.09965.2405-0.66040.8886-0.7841-0.26680.3317-0.47670.0789-0.95390.39550.7102-0.10530.23530.8093-0.18981.2126212.0808118.7783-69.4155
707.7514-1.84714.43062.3316-2.93694.43040.13710.3860.2554-0.68550.0903-1.06830.26962.3126-0.26830.8443-0.03510.25291.1047-0.08310.9501216.3056115.0376-62.7978
716.01526.4393-5.22219.2324-6.90419.67990.01510.29450.29380.06520.0492-1.7595-0.39791.3585-0.08820.4895-0.06660.10870.9563-0.00311.5167220.2779122.1865-64.653
724.36184.2812.95694.25052.57957.0150.117-0.60042.1593-0.23-0.71250.6271-0.5187-0.31490.65710.75530.00970.0060.9915-0.04941.1673210.3902126.0539-64.8815
734.7754-2.00731.56814.76462.57023.1653-0.31691.08960.797-0.3197-1.2037-1.7897-1.13460.05321.56951.1886-0.060.09971.02350.35821.0502209.9781129.8805-69.8704
748.7967-1.60943.48635.7015-5.73786.1895-0.63680.5566-0.50850.21330.1412-0.70220.0701-0.10360.49670.91270.21080.09691.0528-0.28261.445192.6483110.455-58.036
754.4337-5.62540.10928.24380.74311.33430.09490.21270.0363-0.2421-0.0740.17450.3851-0.1505-0.1480.2972-0.2340.04320.73920.0621.075152.519988.7751-14.3512
768.1492-0.2811-6.41726.86583.84447.243-0.4663-0.02010.02610.42970.1328-0.42990.97610.81440.3540.7350.2388-0.15850.92440.10491.0896173.894978.36118.9295
774.5121-0.11694.64267.0178-3.22559.4261-1.034-0.2992-2.6969-1.32961.40663.8121.8507-1.1298-0.47991.0173-0.23080.27571.3868-0.23162.2699272.3693114.9751-8.3864
783.1727-4.2221.53846.0597-3.20063.7453-0.8484-0.39811.4003-0.01370.81163.713-0.6674-0.74010.04720.63380.1632-0.14971.4656-0.34111.4234266.9584119.4307-5.2815
795.43334.987-5.52284.8127-5.91268.55690.4775-0.7615-0.76030.6718-1.1493-1.3149-0.59671.36960.66690.7355-0.128-0.15261.3812-0.20311.6331274.0279121.0458-1.0611
805.50746.7575-3.95689.5113-4.45357.07580.5861-0.9076-0.85991.4315-0.7576-1.8561-0.49141.9580.09150.9084-0.0318-0.20721.2952-0.13320.9865263.1836103.60919.1276
816.0337-6.74435.89287.5359-6.58285.75910.17051.0157-1.5213-0.1518-0.11820.99650.3207-1.1337-0.06730.75860.0208-0.09071.8038-0.29791.2999247.566698.123413.6619
826.42571.56397.11618.69894.90869.0859-0.2115-0.3212-0.1876-0.01320.54890.63790.07551.2669-0.34430.7773-0.03320.17021.5727-0.07741.0659238.7114102.89052.2353
833.99343.70894.97833.49584.65956.23130.8533-0.7027-0.53422.72771.4376-0.96530.16590.8547-2.30381.20520.0914-0.10161.7843-0.29350.9942218.1981116.890733.5226
842.001-0.6793-0.45921.391.99262.88120.445-6.46173.3663.0591.9346-0.99090.64450.7544-2.49271.8677-0.77920.13893.1559-0.2621.6225230.0533118.768839.1739
857.3701-5.89376.1465.0264-5.03455.1693-0.62641.25691.75420.9711-0.1412-1.389-0.20050.49690.78251.1461-0.51460.14451.6896-0.55981.5695226.4235121.008530.1271
867.4122-5.4068-5.92513.94314.32094.7373-0.13370.12121.39832.11620.6426-2.29330.82222.0659-0.53311.1365-0.1187-0.27311.4426-0.3421.3505213.6574124.609126.4146
877.8611-2.7054-0.70674.4367-1.71786.2973-0.3974-1.19911.28870.7099-0.1073-0.12360.3226-0.97450.51160.952-0.23010.05951.5495-0.69971.2207214.9803134.205119.8482
886.08245.2248-4.27694.5271-3.76043.213-0.38124.35240.562-2.0922-0.0689-0.1573-1.4648-0.06860.41571.35120.19890.11841.72970.17491.1001140.5174110.8445-74.5493
898.8944-5.7116-3.89729.71123.84212.1058-0.15530.7146-0.0921-0.77320.53240.3605-0.2241-0.1472-0.40120.78950.0244-0.09681.16070.1320.7037144.0708104.2683-67.1786
903.2968-1.9315-5.257.23740.97739.07190.4871-2.214-0.88970.41250.02280.25480.2860.7856-0.46880.7407-0.0827-0.20150.94270.09020.9295142.7453101.6528-56.9864
914.1380.51990.3112.27842.94384.7180.59771.1602-3.9556-0.5063-0.93191.5111.8626-2.41180.26850.9633-0.1137-0.45041.33170.01251.7801130.331197.6169-64.6607
929.7299-1.83026.49056.8354-2.49374.57820.2362-0.23990.69631.1184-0.14910.6211-0.50840.4049-0.03261.1077-0.10610.45770.7956-0.0591.2035117.72476.181915.1296
935.1073-1.6674-0.41348.9246.60669.59760.1811-0.04081.3133-0.37320.3646-0.0753-0.65330.397-0.57090.6785-0.03260.25840.5582-0.00341.4094115.124676.701710.6561
944.4985.50822.0046.80542.10782.7399-0.3154-0.08021.796-0.5813-0.65240.4878-2.17730.43440.96261.4590.04850.58150.79790.02181.668110.021485.850620.8495
955.1845.84214.60736.58265.19114.0921-0.15740.12261.4641-1.47330.010.82-1.7098-1.12330.13911.02370.18330.34020.98970.43891.8432100.873578.96055.9771
965.17280.62483.29084.52173.18563.8545-0.0868-1.1657-1.93411.7999-0.33412.2270.4683-0.76920.43971.1229-0.12570.49880.77550.05281.7097101.394574.416.7013
978.76131.15550.93154.29995.78137.85540.05410.76240.8138-0.92350.7518-0.4548-0.55390.3172-0.82840.7615-0.02360.10650.82870.38251.1128119.159980.6722-38.532
988.73435.35227.74057.53257.16628.24820.1891-0.039-0.3136-0.0239-0.00610.3610.0339-0.1818-0.16830.609-0.04970.08050.78040.25490.9113121.232884.5159-35.7468
995.1117-5.55446.16756.036-6.70467.4242-0.19172.4860.2802-0.1326-0.5306-0.55690.07710.7970.66961.3229-0.19080.0471.4513-0.0191.2737137.202985.4047-44.8305
1008.6297-3.0629-3.11438.0915-4.55235.6922.3231-1.57395.36143.246-0.8089-2.0714-4.21070.2539-1.43982.6591-0.06650.58380.8462-0.08881.8696179.7863140.1114-64.3068
1014.6325-3.14120.29513.59542.21223.9883-1.8026-0.31590.8772-3.50431.04120.7982-2.52550.38920.72953.08430.31580.97021.20390.25552.343174.1025141.2199-71.6807
1025.7534-2.9235-5.5652.12072.75315.38670.16740.1296-0.4865-1.5444-1.0254-3.68450.51361.76640.8661.05630.22510.28421.64430.2421.6439171.5666129.2758-77.0945
1032.6782.72841.50743.91423.44974.08160.52321.49162.7678-1.90610.4054-0.1196-3.76120.3532-0.93071.21370.22450.55041.06750.49071.5373180.4015133.0669-74.6959
1045.5254-5.20520.08866.24952.08653.50291.3012-2.09440.75031.11490.2486-4.0096-1.4644.0261-1.4850.9514-0.1456-0.06131.6317-0.14761.2266185.6326128.5545-66.3593
1058.8883-6.1693-6.58764.98036.36349.47031.0011-0.06210.88050.03880.291-0.3357-0.9205-0.6071-1.31060.9085-0.01190.26550.96680.25170.9159174.9094127.1072-67.3721
1065.64194.87912.47224.3462.84264.8020.65830.7705-1.21810.90190.1093-2.1038-0.02720.3927-0.78010.99860.1515-0.07560.8958-0.05171.4363192.1621126.151-71.1801
1076.80826.2411-6.72858.8574-7.85899.6029-1.49193.8414-0.2274-2.40961.17430.92452.1602-3.38520.21921.0993-0.1978-0.31612.7168-0.39291.4876250.3261112.210227.6324
1086.0862-4.15622.83243.333-0.93273.351-1.7452-4.1827-0.23414.13791.57791.0237-1.0646-2.09970.13791.74770.1525-0.06823.006-0.30740.9552249.219898.72142.1769
1097.2073-3.94735.33089.4718-4.26944.1848-1.18031.10620.34391.09410.4317-2.00240.2061-0.02370.75831.0731-0.2344-0.11831.8188-0.09871.1817244.574792.207337.1341
1100.8855-2.2567-2.59947.85266.88987.730.0098-3.878-0.12780.9933-0.21380.432-0.1401-2.39520.23610.9850.1757-0.2982.86070.06791.1735245.2923104.03229.3493
1116.61530.22530.30626.8323-3.65655.94190.0327-2.1052-0.85350.4148-0.1081-1.4056-0.4090.57680.06520.968-0.0049-0.07641.8026-0.07661.1115248.016995.481428.9572
1127.8452-0.76117.82057.16920.36899.9344-1.14641.9638-0.4469-0.62710.6387-1.4876-0.42192.12320.46751.0048-0.16130.15171.66370.13421.2823239.508196.451817.8578
1134.4775-1.55496.16692.3995-1.58199.73150.6011-0.153-0.0493-0.17920.01160.44480.754-0.0956-0.6420.8473-0.13840.22750.56550.15671.1588107.197241.7682-20.3139
1146.7108-5.49536.85614.5163-5.63257.02331.37692.2711.592-0.4142-0.75680.6047-0.6412-0.8166-0.60950.81740.11850.09171.59660.24091.2472105.034751.3903-15.1229
1156.65876.25226.44376.39836.60977.8733-1.34081.28550.5933-0.4684-0.18650.0281-2.31082.76521.48980.9293-0.1596-0.0641.09150.58731.6492102.319152.3367-31.62
1166.3719-5.0052-5.02924.13873.65295.1877-0.7684-0.441-0.8372-1.4248-1.53182.39520.6781-3.13472.08091.0145-0.2195-0.10241.2991-0.07531.746891.835548.1055-39.3135
1174.2548-2.1268-2.11027.94262.64364.3075-0.959-1.5544-0.01633.41671.08380.2834-0.23150.5643-0.26051.2469-0.03130.10171.5824-0.92912.0174249.874123.86492.7093
1185.01775.80875.55038.93656.92936.2557-0.3098-0.53762.3905-1.80720.0870.5158-0.81630.35090.21360.9979-0.0811-0.08490.7386-0.32031.6909246.3228129.0364.0469
1194.7455-4.6888-3.93124.68653.90473.2787-0.5345-3.03712.89423.25120.5686-2.5273-1.48561.8682-0.05131.7511-0.4085-0.26092.0113-0.5231.6068252.49132.493510.1507
1205.0637-6.0591-4.77437.84566.05274.6945-0.4096-1.15545.0945-0.74662.7582-4.543-1.0442.1274-2.41211.0469-0.2407-0.27731.87880.06862.2229192.1484101.2673-2.199
1214.9647-6.7605-6.35810.00417.67679.36650.7973-0.88831.28680.8605-0.2429-2.78690.66911.7484-0.57431.4755-0.121-0.00052.5233-0.33181.8598204.623595.13154.1487
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resseq 5:920)A5 - 920
2X-RAY DIFFRACTION2chain 'A' and (resseq 921:1400)A921 - 1400
3X-RAY DIFFRACTION3chain 'A' and (resseq 1401:1532)A1401 - 1532
4X-RAY DIFFRACTION4chain 'A' and (resseq 1533:1541)A1533 - 1541
5X-RAY DIFFRACTION5chain 'B' and (resseq 7:25)B7 - 25
6X-RAY DIFFRACTION6chain 'B' and (resseq 26:64)B26 - 64
7X-RAY DIFFRACTION7chain 'B' and (resseq 65:86)B65 - 86
8X-RAY DIFFRACTION8chain 'B' and (resseq 87:122)B87 - 122
9X-RAY DIFFRACTION9chain 'B' and (resseq 123:148)B123 - 148
10X-RAY DIFFRACTION10chain 'B' and (resseq 149:226)B149 - 226
11X-RAY DIFFRACTION11chain 'B' and (resseq 227:240)B227 - 240
12X-RAY DIFFRACTION12chain 'C' and (resseq 2:112)C2 - 112
13X-RAY DIFFRACTION13chain 'C' and (resseq 113:207)C113 - 207
14X-RAY DIFFRACTION14chain 'D' and (resseq 2:34)D2 - 34
15X-RAY DIFFRACTION15chain 'D' and (resseq 35:67)D35 - 67
16X-RAY DIFFRACTION16chain 'D' and (resseq 68:148)D68 - 148
17X-RAY DIFFRACTION17chain 'D' and (resseq 149:181)D149 - 181
18X-RAY DIFFRACTION18chain 'D' and (resseq 182:209)D182 - 209
19X-RAY DIFFRACTION19chain 'E' and (resseq 5:14)E5 - 14
20X-RAY DIFFRACTION20chain 'E' and (resseq 15:27)E15 - 27
21X-RAY DIFFRACTION21chain 'E' and (resseq 28:50)E28 - 50
22X-RAY DIFFRACTION22chain 'E' and (resseq 51:63)E51 - 63
23X-RAY DIFFRACTION23chain 'E' and (resseq 64:79)E64 - 79
24X-RAY DIFFRACTION24chain 'E' and (resseq 80:86)E80 - 86
25X-RAY DIFFRACTION25chain 'E' and (resseq 87:103)E87 - 103
26X-RAY DIFFRACTION26chain 'E' and (resseq 104:140)E104 - 140
27X-RAY DIFFRACTION27chain 'E' and (resseq 141:154)E141 - 154
28X-RAY DIFFRACTION28chain 'F' and (resseq 1:32)F1 - 32
29X-RAY DIFFRACTION29chain 'F' and (resseq 33:92)F33 - 92
30X-RAY DIFFRACTION30chain 'F' and (resseq 93:101)F93 - 101
31X-RAY DIFFRACTION31chain 'G' and (resseq 2:11)G2 - 11
32X-RAY DIFFRACTION32chain 'G' and (resseq 12:20)G12 - 20
33X-RAY DIFFRACTION33chain 'G' and (resseq 21:52)G21 - 52
34X-RAY DIFFRACTION34chain 'G' and (resseq 53:57)G53 - 57
35X-RAY DIFFRACTION35chain 'G' and (resseq 58:79)G58 - 79
36X-RAY DIFFRACTION36chain 'G' and (resseq 80:92)G80 - 92
37X-RAY DIFFRACTION37chain 'G' and (resseq 93:109)G93 - 109
38X-RAY DIFFRACTION38chain 'G' and (resseq 110:129)G110 - 129
39X-RAY DIFFRACTION39chain 'G' and (resseq 130:144)G130 - 144
40X-RAY DIFFRACTION40chain 'G' and (resseq 145:156)G145 - 156
41X-RAY DIFFRACTION41chain 'H' and (resseq 1:18)H1 - 18
42X-RAY DIFFRACTION42chain 'H' and (resseq 19:29)H19 - 29
43X-RAY DIFFRACTION43chain 'H' and (resseq 30:41)H30 - 41
44X-RAY DIFFRACTION44chain 'H' and (resseq 42:53)H42 - 53
45X-RAY DIFFRACTION45chain 'H' and (resseq 54:62)H54 - 62
46X-RAY DIFFRACTION46chain 'H' and (resseq 63:72)H63 - 72
47X-RAY DIFFRACTION47chain 'H' and (resseq 73:85)H73 - 85
48X-RAY DIFFRACTION48chain 'H' and (resseq 86:95)H86 - 95
49X-RAY DIFFRACTION49chain 'H' and (resseq 96:100)H96 - 100
50X-RAY DIFFRACTION50chain 'H' and (resseq 101:106)H101 - 106
51X-RAY DIFFRACTION51chain 'H' and (resseq 107:116)H107 - 116
52X-RAY DIFFRACTION52chain 'H' and (resseq 117:127)H117 - 127
53X-RAY DIFFRACTION53chain 'H' and (resseq 128:138)H128 - 138
54X-RAY DIFFRACTION54chain 'I' and (resseq 2:25)I2 - 25
55X-RAY DIFFRACTION55chain 'I' and (resseq 26:32)I26 - 32
56X-RAY DIFFRACTION56chain 'I' and (resseq 33:53)I33 - 53
57X-RAY DIFFRACTION57chain 'I' and (resseq 54:88)I54 - 88
58X-RAY DIFFRACTION58chain 'I' and (resseq 89:97)I89 - 97
59X-RAY DIFFRACTION59chain 'I' and (resseq 98:117)I98 - 117
60X-RAY DIFFRACTION60chain 'I' and (resseq 118:128)I118 - 128
61X-RAY DIFFRACTION61chain 'J' and (resseq 3:29)J3 - 29
62X-RAY DIFFRACTION62chain 'J' and (resseq 30:42)J30 - 42
63X-RAY DIFFRACTION63chain 'J' and (resseq 43:47)J43 - 47
64X-RAY DIFFRACTION64chain 'J' and (resseq 48:70)J48 - 70
65X-RAY DIFFRACTION65chain 'J' and (resseq 71:78)J71 - 78
66X-RAY DIFFRACTION66chain 'J' and (resseq 79:85)J79 - 85
67X-RAY DIFFRACTION67chain 'J' and (resseq 86:93)J86 - 93
68X-RAY DIFFRACTION68chain 'J' and (resseq 94:100)J94 - 100
69X-RAY DIFFRACTION69chain 'K' and (resseq 11:34)K11 - 34
70X-RAY DIFFRACTION70chain 'K' and (resseq 35:57)K35 - 57
71X-RAY DIFFRACTION71chain 'K' and (resseq 58:75)K58 - 75
72X-RAY DIFFRACTION72chain 'K' and (resseq 76:100)K76 - 100
73X-RAY DIFFRACTION73chain 'K' and (resseq 101:110)K101 - 110
74X-RAY DIFFRACTION74chain 'K' and (resseq 111:126)K111 - 126
75X-RAY DIFFRACTION75chain 'L' and (resseq 5:32)L5 - 32
76X-RAY DIFFRACTION76chain 'L' and (resseq 33:128)L33 - 128
77X-RAY DIFFRACTION77chain 'M' and (resseq 2:14)M2 - 14
78X-RAY DIFFRACTION78chain 'M' and (resseq 15:21)M15 - 21
79X-RAY DIFFRACTION79chain 'M' and (resseq 22:61)M22 - 61
80X-RAY DIFFRACTION80chain 'M' and (resseq 62:83)M62 - 83
81X-RAY DIFFRACTION81chain 'M' and (resseq 84:93)M84 - 93
82X-RAY DIFFRACTION82chain 'M' and (resseq 94:119)M94 - 119
83X-RAY DIFFRACTION83chain 'N' and (resseq 2:11)N2 - 11
84X-RAY DIFFRACTION84chain 'N' and (resseq 12:16)N12 - 16
85X-RAY DIFFRACTION85chain 'N' and (resseq 17:24)N17 - 24
86X-RAY DIFFRACTION86chain 'N' and (resseq 25:29)N25 - 29
87X-RAY DIFFRACTION87chain 'N' and (resseq 30:61)N30 - 61
88X-RAY DIFFRACTION88chain 'O' and (resseq 2:15)O2 - 15
89X-RAY DIFFRACTION89chain 'O' and (resseq 16:49)O16 - 49
90X-RAY DIFFRACTION90chain 'O' and (resseq 50:73)O50 - 73
91X-RAY DIFFRACTION91chain 'O' and (resseq 74:88)O74 - 88
92X-RAY DIFFRACTION92chain 'P' and (resseq 1:19)P1 - 19
93X-RAY DIFFRACTION93chain 'P' and (resseq 20:43)P20 - 43
94X-RAY DIFFRACTION94chain 'P' and (resseq 44:52)P44 - 52
95X-RAY DIFFRACTION95chain 'P' and (resseq 53:62)P53 - 62
96X-RAY DIFFRACTION96chain 'P' and (resseq 63:83)P63 - 83
97X-RAY DIFFRACTION97chain 'Q' and (resseq 2:17)Q2 - 17
98X-RAY DIFFRACTION98chain 'Q' and (resseq 18:82)Q18 - 82
99X-RAY DIFFRACTION99chain 'Q' and (resseq 83:100)Q83 - 100
100X-RAY DIFFRACTION100chain 'R' and (resseq 19:23)R19 - 23
101X-RAY DIFFRACTION101chain 'R' and (resseq 24:28)R24 - 28
102X-RAY DIFFRACTION102chain 'R' and (resseq 29:36)R29 - 36
103X-RAY DIFFRACTION103chain 'R' and (resseq 37:43)R37 - 43
104X-RAY DIFFRACTION104chain 'R' and (resseq 44:52)R44 - 52
105X-RAY DIFFRACTION105chain 'R' and (resseq 53:76)R53 - 76
106X-RAY DIFFRACTION106chain 'R' and (resseq 77:88)R77 - 88
107X-RAY DIFFRACTION107chain 'S' and (resseq 2:12)S2 - 12
108X-RAY DIFFRACTION108chain 'S' and (resseq 13:25)S13 - 25
109X-RAY DIFFRACTION109chain 'S' and (resseq 26:35)S26 - 35
110X-RAY DIFFRACTION110chain 'S' and (resseq 36:40)S36 - 40
111X-RAY DIFFRACTION111chain 'S' and (resseq 41:70)S41 - 70
112X-RAY DIFFRACTION112chain 'S' and (resseq 71:81)S71 - 81
113X-RAY DIFFRACTION113chain 'T' and (resseq 8:66)T8 - 66
114X-RAY DIFFRACTION114chain 'T' and (resseq 67:75)T67 - 75
115X-RAY DIFFRACTION115chain 'T' and (resseq 76:91)T76 - 91
116X-RAY DIFFRACTION116chain 'T' and (resseq 92:106)T92 - 106
117X-RAY DIFFRACTION117chain 'U' and (resseq 2:8)U2 - 8
118X-RAY DIFFRACTION118chain 'U' and (resseq 9:15)U9 - 15
119X-RAY DIFFRACTION119chain 'U' and (resseq 16:25)U16 - 25
120X-RAY DIFFRACTION120chain 'a' and (resseq 1:6)a1 - 6
121X-RAY DIFFRACTION121chain 'b' and (resseq 30:40)b30 - 40

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