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- PDB-7jyy: Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex w... -

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Basic information

Entry
Database: PDB / ID: 7jyy
TitleCrystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA)pUpUpApApA (Cap-0) and S-Adenosylmethionine (SAM).
Components
  • 2'-O-methyltransferase
  • Non-structural protein 10
  • RNA (5'-D(*(M7G))-R(P*AP*UP*UP*A)-3')
KeywordsVIRAL PROTEIN/RNA / Structural Genomics / Center for Structural Genomics of Infectious Diseases / CSGID / nsp16 / nsp10 / complex / VIRAL PROTEIN / SAM / cap-0 / VIRAL PROTEIN-RNA complex
Function / homology
Function and homology information


protein guanylyltransferase activity / RNA endonuclease activity producing 3'-phosphomonoesters, hydrolytic mechanism / mRNA guanylyltransferase activity / 5'-3' RNA helicase activity / Lyases; Phosphorus-oxygen lyases / Assembly of the SARS-CoV-2 Replication-Transcription Complex (RTC) / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of TBK1 activity / Maturation of replicase proteins / ISG15-specific peptidase activity / TRAF3-dependent IRF activation pathway ...protein guanylyltransferase activity / RNA endonuclease activity producing 3'-phosphomonoesters, hydrolytic mechanism / mRNA guanylyltransferase activity / 5'-3' RNA helicase activity / Lyases; Phosphorus-oxygen lyases / Assembly of the SARS-CoV-2 Replication-Transcription Complex (RTC) / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of TBK1 activity / Maturation of replicase proteins / ISG15-specific peptidase activity / TRAF3-dependent IRF activation pathway / Transcription of SARS-CoV-2 sgRNAs / Translation of Replicase and Assembly of the Replication Transcription Complex / snRNP Assembly / Replication of the SARS-CoV-2 genome / Hydrolases; Acting on ester bonds; Exoribonucleases producing 5'-phosphomonoesters / double membrane vesicle viral factory outer membrane / host cell endoplasmic reticulum-Golgi intermediate compartment / SARS coronavirus main proteinase / 5'-3' DNA helicase activity / 3'-5'-RNA exonuclease activity / host cell endosome / symbiont-mediated degradation of host mRNA / mRNA guanylyltransferase / symbiont-mediated suppression of host ISG15-protein conjugation / G-quadruplex RNA binding / symbiont-mediated suppression of host toll-like receptor signaling pathway / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of IRF3 activity / omega peptidase activity / mRNA (guanine-N7)-methyltransferase / SARS-CoV-2 modulates host translation machinery / methyltransferase cap1 / host cell Golgi apparatus / symbiont-mediated suppression of host NF-kappaB cascade / symbiont-mediated perturbation of host ubiquitin-like protein modification / DNA helicase / methyltransferase cap1 activity / ubiquitinyl hydrolase 1 / mRNA 5'-cap (guanine-N7-)-methyltransferase activity / cysteine-type deubiquitinase activity / Hydrolases; Acting on peptide bonds (peptidases); Cysteine endopeptidases / single-stranded RNA binding / host cell perinuclear region of cytoplasm / regulation of autophagy / viral protein processing / lyase activity / host cell endoplasmic reticulum membrane / RNA helicase / symbiont-mediated suppression of host type I interferon-mediated signaling pathway / symbiont-mediated suppression of host gene expression / copper ion binding / viral translational frameshifting / symbiont-mediated activation of host autophagy / RNA-directed RNA polymerase / cysteine-type endopeptidase activity / viral RNA genome replication / RNA-directed RNA polymerase activity / lipid binding / DNA-templated transcription / SARS-CoV-2 activates/modulates innate and adaptive immune responses / host cell nucleus / ATP hydrolysis activity / proteolysis / RNA binding / zinc ion binding / ATP binding / membrane
Similarity search - Function
RNA-dependent RNA polymerase, SARS-CoV-like / Nonstructural protein 14, betacoronavirus / NSP15, NendoU domain, coronavirus / Nonstructural protein 15, middle domain, alpha/betacoronavirus / Nonstructural protein 15, N-terminal domain, alpha/beta-coronavirus / NSP14, guanine-N7-methyltransferase domain, coronavirus / Coronavirus (CoV) guanine-N7-methyltransferase (N7-MTase) domain profile. / Coronavirus (CoV) Nsp15 N-terminal oligomerization domain profile. / NSP12 RNA-dependent RNA polymerase, coronavirus / : ...RNA-dependent RNA polymerase, SARS-CoV-like / Nonstructural protein 14, betacoronavirus / NSP15, NendoU domain, coronavirus / Nonstructural protein 15, middle domain, alpha/betacoronavirus / Nonstructural protein 15, N-terminal domain, alpha/beta-coronavirus / NSP14, guanine-N7-methyltransferase domain, coronavirus / Coronavirus (CoV) guanine-N7-methyltransferase (N7-MTase) domain profile. / Coronavirus (CoV) Nsp15 N-terminal oligomerization domain profile. / NSP12 RNA-dependent RNA polymerase, coronavirus / : / Coronavirus Nsp12 RNA-dependent RNA polymerase (RdRp) domain profile. / Coronavirus Nsp12 Interface domain profile. / : / : / Coronavirus Nonstructural protein 13, 1B domain / Coronavirus Non-structural protein 13, zinc-binding domain / Coronavirus Nonstructural protein 13, stalk domain / Nidovirus 2-O-methyltransferase / Nidovirus 2'-O-methyltransferase (2'-O-MTase) domain profile. / Non-structural protein NSP15, N-terminal domain superfamily, coronavirus / Non-structural protein NSP15, middle domain superfamily / Coronavirus replicase NSP15, N-terminal oligomerization / Nonstructural protein 15, middle domain, coronavirus / Nonstructural protein 13, 1B domain, coronavirus / Coronavirus replicase NSP15, middle domain / Coronavirus replicase NSP15, N-terminal oligomerisation / Nidovirus 3'-5' exoribonuclease domain / Nidovirus 3'-5' exoribonuclease (ExoN) domain profile. / Non-structural protein NSP16, coronavirus-like / Non-structural protein 14, coronavirus / RNA polymerase, N-terminal, coronavirus / Coronavirus 2'-O-methyltransferase / Coronavirus proofreading exoribonuclease / Coronavirus RNA-dependent RNA polymerase, N-terminal / Nonstructural protein 13, zinc-binding domain, coronavirus-like / Coronaviridae zinc-binding (CV ZBD) domain profile. / Arterivirus Nsp11 N-terminal/Coronavirus NSP15 middle domain / Arterivirus Nsp11 N-terminal/coronavirus NSP15 middle (AV-Nsp11N/CoV-Nsp15M) domain profile. / Nidoviral uridylate-specific endoribonuclease (NendoU) domain profile. / Nidovirus RdRp-associated nucleotidyl transferase (NiRAN) domain / Nidovirus RdRp-associated nucleotidyl transferase (NiRAN) domain profile. / Endoribonuclease EndoU-like / NendoU domain, nidovirus / Coronavirus replicase NSP15, uridylate-specific endoribonuclease / : / Lipocalin signature. / DNA2/NAM7 helicase-like, C-terminal / AAA domain / (+) RNA virus helicase core domain / (+)RNA virus helicase core domain profile. / Non-structural protein NSP3, SUD-N (Mac2) domain, betacoronavirus / Sarbecovirus Nsp3c-N domain profile. / Non-structural protein NSP3, N-terminal, betacoronavirus / Polyprotein cleavage domain PL2pro superfamily, betacoronavirus / Non-structural protein NSP3, SUD-N (Mac2) domain superfamily, betacoronavirus / Betacoronavirus SUD-C domain / Betacoronavirus replicase NSP3, N-terminal / NSP1 globular domain superfamily, betacoronavirus / Non-structural protein 2, SARS-CoV-like / Carbamoyl-phosphate synthase subdomain signature 2. / Betacoronavirus Nsp3c-M domain profile. / NSP1, globular domain, betacoronavirus / Non-structural protein NSP3, SUD-M domain, betacoronavirus / Non-structural protein NSP3, SUD-M domain superfamily, betacoronavirus / Betacoronavirus replicase NSP1 / Betacoronavirus single-stranded poly(A) binding domain / NSP1, C-terminal domain, betacoronavirus / : / Betacoronavirus (BetaCoV) Nsp1 C-terminal domain profile. / Betacoronavirus Nsp3e group 2-specific marker (G2M) domain profile. / Betacoronavirus Nsp3c-C domain profile. / Betacoronavirus Nsp3e nucleic acid-binding (NAB) domain profile. / DPUP/SUD, C-terminal, betacoronavirus / Non-structural protein NSP3, nucleic acid-binding domain, betacoronavirus / Non-structural protein NSP3A domain-like superfamily / Non-structural protein NSP3, nucleic acid-binding domain superfamily, betacoronavirus / Non-structural protein 6, betacoronavirus / Betacoronavirus nucleic acid-binding (NAB) / Papain-like viral protease, palm and finger domains, coronavirus / Papain-like protease, N-terminal domain superfamily, coronavirus / Coronavirus replicase NSP2, N-terminal / : / Coronavirus replicase NSP2, C-terminal / Coronavirus (CoV) Nsp2 middle domain profile. / NSP1, globular domain, alpha/betacoronavirus / Coronavirus (CoV) Nsp1 globular domain profile. / Coronavirus (CoV) Nsp2 N-terminal domain profile. / Coronavirus (CoV) Nsp2 C-terminal domain profile. / Nonstructural protein 2, N-terminal domain, coronavirus / Non-structural protein 2, C-terminal domain, coronavirus / NSP3, second ubiquitin-like (Ubl) domain, coronavirus / Coronavirus Nsp3a Ubl domain profile. / Coronavirus Nsp3d Ubl domain profile. / NSP3, first ubiquitin-like (Ubl) domain, coronavirus / Peptidase family C16 domain profile. / : / : / Coronavirus replicase NSP7 / Coronavirus 3Ecto domain profile. / Coronavirus RNA-dependent RNA polymerase (RdRp) Nsp7 cofactor domain profile.
Similarity search - Domain/homology
FORMIC ACID / S-ADENOSYLMETHIONINE / RNA / Replicase polyprotein 1ab
Similarity search - Component
Biological speciesSevere acute respiratory syndrome coronavirus 2
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.05 Å
AuthorsMinasov, G. / Shuvalova, L. / Rosas-Lemus, M. / Kiryukhina, O. / Brunzelle, J.S. / Satchell, K.J.F. / Center for Structural Genomics of Infectious Diseases (CSGID)
CitationJournal: Sci.Signal. / Year: 2021
Title: Mn 2+ coordinates Cap-0-RNA to align substrates for efficient 2'- O -methyl transfer by SARS-CoV-2 nsp16.
Authors: Minasov, G. / Rosas-Lemus, M. / Shuvalova, L. / Inniss, N.L. / Brunzelle, J.S. / Daczkowski, C.M. / Hoover, P. / Mesecar, A.D. / Satchell, K.J.F.
History
DepositionSep 1, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 16, 2020Provider: repository / Type: Initial release
Revision 1.1Dec 15, 2021Group: Database references / Category: citation / citation_author / database_2
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.2Oct 18, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 2.0Mar 6, 2024Group: Data collection / Non-polymer description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / entity
Item: _chem_comp.formula / _chem_comp.formula_weight / _entity.formula_weight

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: 2'-O-methyltransferase
B: Non-structural protein 10
C: 2'-O-methyltransferase
D: Non-structural protein 10
E: RNA (5'-D(*(M7G))-R(P*AP*UP*UP*A)-3')
F: RNA (5'-D(*(M7G))-R(P*AP*UP*UP*A)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)103,30425
Polymers101,7706
Non-polymers1,53419
Water9,368520
1
A: 2'-O-methyltransferase
B: Non-structural protein 10
E: RNA (5'-D(*(M7G))-R(P*AP*UP*UP*A)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)51,68113
Polymers50,8853
Non-polymers79610
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: 2'-O-methyltransferase
D: Non-structural protein 10
F: RNA (5'-D(*(M7G))-R(P*AP*UP*UP*A)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)51,62312
Polymers50,8853
Non-polymers7389
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)166.948, 166.948, 98.810
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number154
Space group name H-MP3221

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Components

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Protein , 2 types, 4 molecules ACBD

#1: Protein 2'-O-methyltransferase / NSP16


Mass: 33556.426 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Severe acute respiratory syndrome coronavirus 2
Gene: rep, 1a-1b / Plasmid: pMCSG53 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): (DE3)magic
References: UniProt: P0DTD1, Transferases; Transferring one-carbon groups; Methyltransferases
#2: Protein Non-structural protein 10 / NSP10


Mass: 15004.114 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Severe acute respiratory syndrome coronavirus 2
Gene: rep, 1a-1b / Plasmid: pMCSG53 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): (DE3)magic / References: UniProt: P0DTD1

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RNA chain , 1 types, 2 molecules EF

#3: RNA chain RNA (5'-D(*(M7G))-R(P*AP*UP*UP*A)-3')


Mass: 2324.417 Da / Num. of mol.: 2 / Source method: obtained synthetically
Source: (synth.) Severe acute respiratory syndrome coronavirus 2

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Non-polymers , 7 types, 539 molecules

#4: Chemical ChemComp-SAM / S-ADENOSYLMETHIONINE


Mass: 398.437 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C15H22N6O5S / Feature type: SUBJECT OF INVESTIGATION
#5: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Mg / Feature type: SUBJECT OF INVESTIGATION
#6: Chemical ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Na
#7: Chemical ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cl
#8: Chemical
ChemComp-FMT / FORMIC ACID


Mass: 46.025 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: CH2O2
#9: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Zn / Feature type: SUBJECT OF INVESTIGATION
#10: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 520 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY

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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: 4.1 Å3/Da / Density % sol: 70 %
Crystal growTemperature: 292 K / Method: vapor diffusion, sitting drop / pH: 5.6
Details: Protein: 5.3 mg/ml (nsp10/nsp16 1:1), 0.15M Sodium chloride, 0.01M Tris pH 7.5 , 2mM SAM, 1mM TCEP, 5% Glycerol; Screen: ComPAS (G5), 0.1M Sodium citrate pH 5.6, 1.0M Ammonium dihydrogen ...Details: Protein: 5.3 mg/ml (nsp10/nsp16 1:1), 0.15M Sodium chloride, 0.01M Tris pH 7.5 , 2mM SAM, 1mM TCEP, 5% Glycerol; Screen: ComPAS (G5), 0.1M Sodium citrate pH 5.6, 1.0M Ammonium dihydrogen phosphate; Soak: 1.5 hours, 0.2mM [M7Gppp]rArUrUrArArA, 5mM SAM, 5mM Manganese chloride; Cryo: 4M Sodium formate.

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 21-ID-F / Wavelength: 0.97872 Å
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Jul 31, 2020 / Details: BE
RadiationMonochromator: DIAMOND (111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97872 Å / Relative weight: 1
ReflectionResolution: 2.05→30 Å / Num. obs: 99216 / % possible obs: 100 % / Observed criterion σ(I): -3 / Redundancy: 7.6 % / Biso Wilson estimate: 35.8 Å2 / CC1/2: 0.996 / Rmerge(I) obs: 0.083 / Rpim(I) all: 0.032 / Rrim(I) all: 0.089 / Rsym value: 0.083 / Χ2: 1.012 / Net I/σ(I): 24.1
Reflection shellResolution: 2.05→2.09 Å / Redundancy: 7.6 % / Rmerge(I) obs: 1.079 / Mean I/σ(I) obs: 2.1 / Num. unique obs: 4938 / CC1/2: 0.765 / Rpim(I) all: 0.415 / Rrim(I) all: 1.156 / Rsym value: 1.079 / Χ2: 1 / % possible all: 99.8

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Processing

Software
NameVersionClassification
REFMAC5.8.0266refinement
PDB_EXTRACT3.25data extraction
HKL-3000data reduction
HKL-3000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6w4h

6w4h


Resolution: 2.05→29.97 Å / Cor.coef. Fo:Fc: 0.968 / Cor.coef. Fo:Fc free: 0.963 / SU B: 6.594 / SU ML: 0.087 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.118 / ESU R Free: 0.109 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : WITH TLS ADDED
RfactorNum. reflection% reflectionSelection details
Rfree0.1846 5028 5.1 %RANDOM
Rwork0.1658 ---
obs0.1667 94164 99.88 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso max: 140.23 Å2 / Biso mean: 47.34 Å2 / Biso min: 21.99 Å2
Baniso -1Baniso -2Baniso -3
1-0.63 Å20.31 Å20 Å2
2--0.63 Å20 Å2
3----2.04 Å2
Refinement stepCycle: final / Resolution: 2.05→29.97 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6490 190 85 545 7310
Biso mean--43.87 49.85 -
Num. residues----851
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0040.0137169
X-RAY DIFFRACTIONr_bond_other_d0.0010.0176533
X-RAY DIFFRACTIONr_angle_refined_deg1.291.6379782
X-RAY DIFFRACTIONr_angle_other_deg0.3671.59615100
X-RAY DIFFRACTIONr_dihedral_angle_1_deg2.855885
X-RAY DIFFRACTIONr_dihedral_angle_2_deg27.67323.954306
X-RAY DIFFRACTIONr_dihedral_angle_3_deg8.87151154
X-RAY DIFFRACTIONr_dihedral_angle_4_deg6.5351521
X-RAY DIFFRACTIONr_chiral_restr0.0570.2956
X-RAY DIFFRACTIONr_gen_planes_refined0.0540.028155
X-RAY DIFFRACTIONr_gen_planes_other0.0470.021610
LS refinement shellResolution: 2.05→2.103 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.269 378 -
Rwork0.247 6850 -
all-7228 -
obs--99.31 %
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)
11.6437-0.01690.50221.3462-0.20472.11280.03110.1427-0.0374-0.2120.02450.08260.1375-0.0794-0.05560.19510.02930.00450.03070.01010.023285.861523.1504-2.5771
21.3769-0.0134-0.32231.43630.25072.9306-0.0314-0.0013-0.03970.0240.0632-0.12920.33540.2125-0.03180.21660.06580.0030.0469-0.00930.066694.299220.61044.4008
32.3663-0.25710.91331.1538-0.06282.8578-0.046-0.03280.1949-0.05160.0599-0.0128-0.15940.0515-0.01390.19750.04340.01230.02750.02540.107189.407232.33462.1338
44.0525-0.7937-0.20875.1035-0.83126.5346-0.00530.5297-0.0774-0.443-0.0316-0.7927-0.04290.75730.03690.24550.05890.150.2972-0.02660.1678107.573222.1664-15.4289
53.84875.611-2.43999.3402-3.98232.1303-0.01410.26-0.36810.00710.037-0.20820.0310.0332-0.02280.34510.05790.02750.1427-0.13820.174392.29092.7216-9.5576
62.0191-4.16092.68859.4539-3.91647.035-0.1088-0.21540.1220.1950.2992-0.31520.0474-0.4888-0.19040.25990.0208-0.01390.1638-0.01450.246781.512414.51412.7025
70.8685-2.9671-0.754910.34313.43714.78580.02820.0196-0.3105-0.0755-0.05011.08470.26830.22280.02190.2158-0.2072-0.09250.3435-0.05590.520155.75062.6649-13.9708
83.0229-0.22260.34253.0579-0.4172.14620.0730.5821-0.2426-0.59570.06570.58170.381-0.4496-0.13860.3417-0.0788-0.19980.2774-0.01420.159167.189218.7358-17.2396
90.97220.49660.19479.4997-9.496710.06710.0556-0.1117-0.3579-0.60620.1797-0.14450.6504-0.2993-0.23540.430.0119-0.0490.3728-0.02040.381459.771430.1004-36.151
103.9854-0.2834-1.30691.87110.47443.3113-0.02480.1833-0.2897-0.243-0.0001-0.00860.11390.110.02490.2840.01710.01040.0505-0.06880.108690.2345-37.1966-24.7752
111.16530.12440.02611.70070.37112.23810.03090.02680.1194-0.132-0.01440.155-0.2858-0.1039-0.01650.25440.03080.00280.0122-0.00310.090782.4334-19.9549-10.752
120.8636-0.06060.07221.58460.70792.63770.00430.1374-0.0578-0.26530.1403-0.1625-0.17340.383-0.14460.263-0.02180.04860.0781-0.03630.077794.8135-26.1696-19.0062
134.00222.67873.16192.45872.35544.76390.023-0.1037-0.25020.13510.0944-0.06380.12550.0543-0.11750.23410.03440.01040.05250.00910.119486.3259-30.0982-0.9494
141.4911-1.72391.29235.661-0.89812.9477-0.0811-0.12650.16270.17910.1026-0.5499-0.21930.4252-0.02140.2111-0.06030.02270.1829-0.05150.129498.13-17.2938-0.5049
156.98451.8111-4.4276.22551.58176.0051-0.06920.43810.0329-0.35360.1350.0724-0.015-0.1714-0.06580.23070.0663-0.01740.07030.0110.131281.7572-15.9513-19.2143
161.17832.6597-1.33098.88030.6416.1520.2182-0.05640.3330.58750.01310.8222-0.10660.3061-0.23120.23450.2626-0.06010.4357-0.07120.554353.804-4.0267-8.6541
171.97020.96020.62543.5948-0.26282.65940.1632-0.23290.2550.2264-0.12610.5874-0.0797-0.8204-0.03720.19160.03730.03730.2714-0.04210.26664.6533-22.4133-5.2362
1810.12132.78253.682410.2067.52058.51270.0664-0.67590.0580.4471-0.18880.6664-0.0766-0.00720.12240.3650.0710.10790.1379-0.11480.379966.4921-3.4689-0.5778
193.2335-0.0838-3.7262.94-1.31145.540.10920.1780.2350.21610.12280.5283-0.2552-0.8975-0.2320.37140.09820.1030.7567-0.18360.534359.0972-19.59220.6435
200.7059-1.68361.84144.0244-4.3964.81160.0259-0.0248-0.046-0.02180.07280.13180.0372-0.0655-0.09870.20960.00270.05250.19370.01840.230682.205125.340816.3287
2110.2596-8.6041-5.073912.3931-3.018612.7309-0.41870.6474-0.54450.0195-0.02810.32340.6709-1.07290.44680.2174-0.11660.03960.2978-0.00150.189279.653620.12038.5198
2214.9276.9425-2.55833.2383-1.18960.43860.0253-0.2372-0.2173-0.0105-0.0683-0.0937-0.00820.04080.0430.2986-0.0432-0.02790.20540.03620.259575.728519.78695.1652
2326.53316.8265-4.36771.7936-1.14830.73690.1939-0.72940.28640.1481-0.0860.1932-0.12220.0468-0.10780.71040.26280.14950.4220.16340.63371.482626.29245.3805
240.1405-0.0084-0.62270.01120.00342.883-0.0062-0.0261-0.0537-0.0277-0.01150.06550.07050.12750.01760.36340.0017-0.12730.1720.00140.421784.4362-26.8701-32.5551
254.3619-0.08992.43960.006-0.05081.4047-0.2931-0.23450.32290.00480.0334-0.0042-0.2675-0.17310.25970.46240.1363-0.13130.2446-0.06150.230380.8451-21.5146-25.3609
260.1332-1.575-0.424624.7247.06212.0448-0.0530.01920.0611-0.9290.361-0.935-0.34430.1468-0.3080.4674-0.06930.02720.2097-0.01070.274276.3717-20.702-22.8165
2717.8752-6.7351.61032.5513-0.60950.14710.30861.04820.2232-0.1566-0.3403-0.06750.04070.07890.03170.4546-0.0773-0.120.31010.00420.206572.0495-26.9938-23.9472
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A6797 - 6931
2X-RAY DIFFRACTION2A6932 - 7014
3X-RAY DIFFRACTION3A7015 - 7052
4X-RAY DIFFRACTION4A7053 - 7079
5X-RAY DIFFRACTION5A7080 - 7096
6X-RAY DIFFRACTION6A7101
7X-RAY DIFFRACTION7B4264 - 4289
8X-RAY DIFFRACTION8B4290 - 4375
9X-RAY DIFFRACTION9B4376 - 4392
10X-RAY DIFFRACTION10C6799 - 6832
11X-RAY DIFFRACTION11C6833 - 6938
12X-RAY DIFFRACTION12C6939 - 7037
13X-RAY DIFFRACTION13C7038 - 7062
14X-RAY DIFFRACTION14C7063 - 7095
15X-RAY DIFFRACTION15C7101
16X-RAY DIFFRACTION16D4270 - 4286
17X-RAY DIFFRACTION17D4287 - 4332
18X-RAY DIFFRACTION18D4333 - 4342
19X-RAY DIFFRACTION19D4343 - 4384
20X-RAY DIFFRACTION20E0
21X-RAY DIFFRACTION21E1
22X-RAY DIFFRACTION22E2
23X-RAY DIFFRACTION23E3 - 4
24X-RAY DIFFRACTION24F0
25X-RAY DIFFRACTION25F1
26X-RAY DIFFRACTION26F2
27X-RAY DIFFRACTION27F3 - 4

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