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- PDB-7jz0: Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex w... -

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Basic information

Entry
Database: PDB / ID: 7jz0
TitleCrystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1) and S-Adenosyl-L-homocysteine (SAH).
Components
  • 2'-O-methyltransferase
  • Non-structural protein 10
  • RNA (5'-D(*(M7G))-R(P*(A2M)P*UP*U)-3')
KeywordsVIRAL PROTEIN/RNA / Structural Genomics / Center for Structural Genomics of Infectious Diseases / CSGID / nsp16 / nsp10 / complex / VIRAL PROTEIN / SAH / Cap-1 / VIRAL PROTEIN-RNA complex
Function / homology
Function and homology information


protein guanylyltransferase activity / RNA endonuclease activity, producing 3'-phosphomonoesters / mRNA guanylyltransferase activity / 5'-3' RNA helicase activity / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of TBK1 activity / Lyases; Phosphorus-oxygen lyases / Assembly of the SARS-CoV-2 Replication-Transcription Complex (RTC) / Maturation of replicase proteins / ISG15-specific peptidase activity / Transcription of SARS-CoV-2 sgRNAs ...protein guanylyltransferase activity / RNA endonuclease activity, producing 3'-phosphomonoesters / mRNA guanylyltransferase activity / 5'-3' RNA helicase activity / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of TBK1 activity / Lyases; Phosphorus-oxygen lyases / Assembly of the SARS-CoV-2 Replication-Transcription Complex (RTC) / Maturation of replicase proteins / ISG15-specific peptidase activity / Transcription of SARS-CoV-2 sgRNAs / Translation of Replicase and Assembly of the Replication Transcription Complex / snRNP Assembly / TRAF3-dependent IRF activation pathway / Replication of the SARS-CoV-2 genome / Hydrolases; Acting on ester bonds; Exoribonucleases producing 5'-phosphomonoesters / : / double membrane vesicle viral factory outer membrane / SARS coronavirus main proteinase / host cell endosome / 3'-5'-RNA exonuclease activity / host cell endoplasmic reticulum-Golgi intermediate compartment / symbiont-mediated suppression of host toll-like receptor signaling pathway / symbiont-mediated degradation of host mRNA / mRNA guanylyltransferase / symbiont-mediated suppression of host ISG15-protein conjugation / G-quadruplex RNA binding / SARS-CoV-2 modulates host translation machinery / omega peptidase activity / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of IRF3 activity / mRNA (guanine-N7)-methyltransferase / methyltransferase cap1 / host cell Golgi apparatus / symbiont-mediated perturbation of host ubiquitin-like protein modification / mRNA (nucleoside-2'-O-)-methyltransferase activity / mRNA 5'-cap (guanine-N7-)-methyltransferase activity / DNA helicase / ubiquitinyl hydrolase 1 / cysteine-type deubiquitinase activity / Hydrolases; Acting on peptide bonds (peptidases); Cysteine endopeptidases / single-stranded RNA binding / host cell endoplasmic reticulum membrane / host cell perinuclear region of cytoplasm / viral protein processing / lyase activity / RNA helicase / induction by virus of host autophagy / RNA-directed RNA polymerase / copper ion binding / symbiont-mediated suppression of host gene expression / viral RNA genome replication / cysteine-type endopeptidase activity / RNA-dependent RNA polymerase activity / DNA-templated transcription / lipid binding / symbiont-mediated suppression of host type I interferon-mediated signaling pathway / host cell nucleus / SARS-CoV-2 activates/modulates innate and adaptive immune responses / 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 / : / : / Coronavirus Nonstructural protein 13, 1B domain / Coronavirus Non-structural protein 13, zinc-binding domain / Coronavirus Nonstructural protein 13, stalk domain / : / Coronavirus Nsp12 Interface domain profile. ...RNA-dependent RNA polymerase, SARS-CoV-like / Nonstructural protein 14, betacoronavirus / NSP15, NendoU domain, coronavirus / : / : / Coronavirus Nonstructural protein 13, 1B domain / Coronavirus Non-structural protein 13, zinc-binding domain / Coronavirus Nonstructural protein 13, stalk domain / : / Coronavirus Nsp12 Interface domain profile. / Nonstructural protein 15, middle domain, alpha/betacoronavirus / Nonstructural protein 15, N-terminal domain, alpha/beta-coronavirus / NSP14, guanine-N7-methyltransferase domain, coronavirus / NSP12 RNA-dependent RNA polymerase, coronavirus / Coronavirus (CoV) guanine-N7-methyltransferase (N7-MTase) domain profile. / Coronavirus (CoV) Nsp15 N-terminal oligomerization domain profile. / Nidovirus 2-O-methyltransferase / Coronavirus Nsp12 RNA-dependent RNA polymerase (RdRp) domain profile. / Nidovirus 3'-5' exoribonuclease domain / Nidovirus 2'-O-methyltransferase (2'-O-MTase) domain profile. / Nidovirus 3'-5' exoribonuclease (ExoN) domain profile. / Nonstructural protein 13, 1B domain, coronavirus / Arterivirus Nsp11 N-terminal/Coronavirus NSP15 middle domain / 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 / Coronavirus replicase NSP15, middle domain / Coronavirus replicase NSP15, N-terminal oligomerisation / Arterivirus Nsp11 N-terminal/coronavirus NSP15 middle (AV-Nsp11N/CoV-Nsp15M) 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 / Nidoviral uridylate-specific endoribonuclease (NendoU) domain profile. / Nidovirus RdRp-associated nucleotidyl transferase (NiRAN) domain / Nonstructural protein 13, zinc-binding domain, coronavirus-like / Coronaviridae zinc-binding (CV ZBD) domain profile. / Nidovirus RdRp-associated nucleotidyl transferase (NiRAN) domain profile. / Endoribonuclease EndoU-like / NendoU domain, nidovirus / Coronavirus replicase NSP15, uridylate-specific endoribonuclease / DNA2/NAM7 helicase-like, C-terminal / AAA domain / (+) RNA virus helicase core domain / (+)RNA virus helicase core domain profile. / Lipocalin signature. / 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. / Coronavirus 3Ecto domain profile. / : / Betacoronavirus Nsp3e group 2-specific marker (G2M) domain profile. / NSP1, C-terminal domain, betacoronavirus / 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 / Betacoronavirus (BetaCoV) Nsp1 C-terminal 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 superfamily, betacoronavirus / Non-structural protein 6, betacoronavirus / Betacoronavirus nucleic acid-binding (NAB) / Non-structural protein NSP3, nucleic acid-binding domain, betacoronavirus / Non-structural protein NSP3A domain-like superfamily / Papain-like protease, N-terminal domain superfamily, coronavirus / Papain-like viral protease, palm and finger domains, coronavirus / : / Coronavirus (CoV) Nsp2 middle domain profile. / Coronavirus (CoV) Nsp2 N-terminal domain profile. / Coronavirus (CoV) Nsp2 C-terminal domain profile. / NSP1, globular domain, alpha/betacoronavirus / : / Coronavirus (CoV) Nsp3 Y domain profile. / Coronavirus (CoV) Nsp1 globular domain profile. / Coronavirus replicase NSP2, N-terminal / Nonstructural protein 2, N-terminal domain, coronavirus / Coronavirus replicase NSP2, C-terminal / Non-structural protein 2, C-terminal domain, coronavirus / Coronavirus Nsp3a Ubl domain profile. / Coronavirus Nsp3d Ubl domain profile. / Coronavirus RNA-dependent RNA polymerase (RdRp) Nsp7 cofactor domain profile. / Coronavirus RNA-dependent RNA polymerase (RdRp) Nsp8 cofactor domain profile. / Coronavirus Nsp9 single-stranded RNA (ssRNA)-binding domain profile. / Coronavirus (CoV) ExoN/MTase coactivator domain profile. / NSP3, first ubiquitin-like (Ubl) domain, coronavirus / NSP3, second ubiquitin-like (Ubl) domain, coronavirus
Similarity search - Domain/homology
FORMIC ACID / S-ADENOSYL-L-HOMOCYSTEINE / RNA / Replicase polyprotein 1ab
Similarity search - Component
Biological speciesSevere acute respiratory syndrome coronavirus 2
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.15 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)
Citation
Journal: Biorxiv / Year: 2020
Title: Structure of SARS-CoV-2 2'-O-methyltransferase heterodimer with RNA Cap analog and sulfates bound reveals new strategies for structure-based inhibitor design
Authors: Rosas-Lemus, M. / Minasov, G. / Shuvalova, L. / Inniss, N. / Kiryukhina, O. / Brunzelle, J. / Satchell, K.J.F.
#1: Journal: Biorxiv / Year: 2020
Title: Structure of SARS-CoV-2 2′- O -methyltransferase heterodimer with RNA Cap analog and sulfates bound reveals new strategies for structure-based inhibitor design
Authors: Rosas-Lemus, M. / Minasov, G. / Shuvalova, L. / Inniss, N. / Kiryukhina, O. / Brunzelle, J. / 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: _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.2Nov 2, 2022Group: Database references / Category: citation / citation_author
Item: _citation.journal_abbrev / _citation.journal_id_ISSN ..._citation.journal_abbrev / _citation.journal_id_ISSN / _citation.journal_volume / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.identifier_ORCID / _citation_author.name
Revision 1.3Oct 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*(A2M)P*UP*U)-3')
F: RNA (5'-D(*(M7G))-R(P*(A2M)P*UP*U)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)103,53731
Polymers101,7986
Non-polymers1,73925
Water7,080393
1
A: 2'-O-methyltransferase
B: Non-structural protein 10
E: RNA (5'-D(*(M7G))-R(P*(A2M)P*UP*U)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)51,80716
Polymers50,8993
Non-polymers90813
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*(A2M)P*UP*U)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)51,73015
Polymers50,8993
Non-polymers83112
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)167.238, 167.238, 98.867
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*(A2M)P*UP*U)-3')


Mass: 2338.444 Da / Num. of mol.: 2 / Source method: obtained synthetically
Source: (synth.) Severe acute respiratory syndrome coronavirus 2

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Non-polymers , 6 types, 418 molecules

#4: Chemical ChemComp-SAH / S-ADENOSYL-L-HOMOCYSTEINE / S-Adenosyl-L-homocysteine


Type: L-peptide linking / Mass: 384.411 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C14H20N6O5S / Feature type: SUBJECT OF INVESTIGATION
#5: Chemical
ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Na
#6: Chemical
ChemComp-CL / CHLORIDE ION / Chloride


Mass: 35.453 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: Cl
#7: Chemical
ChemComp-FMT / FORMIC ACID / Formic acid


Mass: 46.025 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: CH2O2
#8: Chemical
ChemComp-ZN / ZINC ION


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


Mass: 18.015 Da / Num. of mol.: 393 / 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: 3.92 Å3/Da / Density % sol: 68.63 %
Crystal growTemperature: 292 K / Method: vapor diffusion, sitting drop / pH: 4.6
Details: Protein: 4.7mg/ml (nsp10/nsp16 1:1), 0.15M Sodium chloride, 0.01M Tris pH 7.5 , 2mM SAM, 1mM TCEP, 5% Glycerol; Screen: Anions (E6), 0.1M Sodium acetate pH 4.6, 0.5M Sodium succinate; Soak: ...Details: Protein: 4.7mg/ml (nsp10/nsp16 1:1), 0.15M Sodium chloride, 0.01M Tris pH 7.5 , 2mM SAM, 1mM TCEP, 5% Glycerol; Screen: Anions (E6), 0.1M Sodium acetate pH 4.6, 0.5M Sodium succinate; Soak: 17 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: Aug 7, 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: 2.15→50 Å / Num. obs: 86204 / % possible obs: 100 % / Observed criterion σ(I): -3 / Redundancy: 7.1 % / Biso Wilson estimate: 42.2 Å2 / Rmerge(I) obs: 0.09 / Rpim(I) all: 0.036 / Rrim(I) all: 0.097 / Rsym value: 0.09 / Χ2: 1.387 / Net I/σ(I): 26.6
Reflection shellResolution: 2.15→2.19 Å / Redundancy: 7.1 % / Rmerge(I) obs: 1.239 / Mean I/σ(I) obs: 1.8 / Num. unique obs: 4265 / CC1/2: 0.735 / Rpim(I) all: 0.493 / Rrim(I) all: 1.335 / Rsym value: 1.239 / Χ2: 0.999 / % possible all: 100

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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: 2.15→30 Å / Cor.coef. Fo:Fc: 0.965 / Cor.coef. Fo:Fc free: 0.954 / SU B: 8.181 / SU ML: 0.101 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.141 / ESU R Free: 0.13 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : WITH TLS ADDED
RfactorNum. reflection% reflectionSelection details
Rfree0.1981 4338 5 %RANDOM
Rwork0.1733 ---
obs0.1745 81799 99.81 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso max: 171.9 Å2 / Biso mean: 55.875 Å2 / Biso min: 27.32 Å2
Baniso -1Baniso -2Baniso -3
1-1.29 Å20.65 Å2-0 Å2
2--1.29 Å20 Å2
3----4.19 Å2
Refinement stepCycle: final / Resolution: 2.15→30 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6496 188 91 398 7173
Biso mean--60.53 56.93 -
Num. residues----850
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0050.0137087
X-RAY DIFFRACTIONr_bond_other_d0.0010.0176475
X-RAY DIFFRACTIONr_angle_refined_deg1.3441.6529650
X-RAY DIFFRACTIONr_angle_other_deg0.3811.59814954
X-RAY DIFFRACTIONr_dihedral_angle_1_deg2.7885868
X-RAY DIFFRACTIONr_dihedral_angle_2_deg27.65123.98304
X-RAY DIFFRACTIONr_dihedral_angle_3_deg9151144
X-RAY DIFFRACTIONr_dihedral_angle_4_deg8.7471521
X-RAY DIFFRACTIONr_chiral_restr0.060.2944
X-RAY DIFFRACTIONr_gen_planes_refined0.0530.028032
X-RAY DIFFRACTIONr_gen_planes_other0.0470.021589
LS refinement shellResolution: 2.152→2.208 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.284 313 -
Rwork0.271 5927 -
all-6240 -
obs--99.13 %
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)
11.59020.08120.47011.3564-0.14342.6454-0.04850.1177-0.0275-0.27780.0910.06440.2104-0.1106-0.04250.2599-0.00170.0110.02620.01310.170185.325323.3048-2.5945
21.67560.2868-0.30651.60890.01953.5306-0.0855-0.0564-0.0859-0.03620.1191-0.10650.40670.2186-0.03360.24930.06110.01250.0318-0.01460.170793.576220.53124.3963
32.09050.05421.20351.13110.0923.4623-0.0873-0.02250.2039-0.10690.0849-0.0066-0.19840.04280.00240.20370.03440.01050.02110.020.203189.212532.4162.3019
44.1378-0.9441-0.14355.3363-2.21197.2525-0.14890.4224-0.1952-0.53450.024-0.84540.2711.05870.12490.27340.05050.17330.2766-0.06440.1984107.048321.7456-15.5131
54.57076.5795-2.7349.9281-4.76673.2162-0.13160.1187-0.1877-0.35170.081-0.2090.30910.13560.05070.47180.05340.06190.083-0.0640.235191.06142.7991-9.7133
61.5968-3.54210.13469.537-0.28960.0888-0.1524-0.2145-0.0991-0.20950.25390.25760.0402-0.0282-0.10150.28560.0137-0.0230.19840.01590.260780.797714.55192.6362
70.673-1.48440.144811.47015.33933.99350.0253-0.0514-0.0534-0.032-0.05620.19090.0199-0.05110.03090.097-0.0963-0.00320.20380.02850.329754.99773.0322-13.4608
83.22-0.42530.46073.1947-0.10851.90040.02190.5157-0.3752-0.6219-0.02450.59210.2575-0.3480.00260.3648-0.1132-0.22210.1963-0.02780.23666.431419.6749-17.0999
90.75050.10961.14867.9501-8.050410.29560.1182-0.1562-0.3895-0.63930.1835-0.38140.8108-0.4165-0.30170.49660.0509-0.06920.3792-0.01270.331559.289830.8798-35.9
104.5551-0.0502-2.10992.0951.13213.5691-0.10780.2296-0.4244-0.18210.0715-0.10080.22750.26450.03630.36180.0353-0.02030.0792-0.08070.19689.7874-37.1428-24.8645
111.33930.17830.06221.62280.03642.81480.05180.02020.1306-0.13250.02770.1282-0.3538-0.041-0.07950.33940.03660.00850.00560.00090.226281.5861-20.051-10.7843
121.56060.0863-0.00970.99720.56983.05020.04090.1585-0.0699-0.26250.1282-0.1557-0.18250.5213-0.16910.3407-0.00050.04140.1104-0.04790.209794.0927-25.9767-19.1572
134.03042.93312.43023.08762.26255.15910.2205-0.1285-0.45270.22210.087-0.22630.25130.0823-0.30750.28680.0321-0.00340.0506-0.0030.220385.8137-30.0764-1.0221
141.7389-2.1041.05155.8835-1.1793.5034-0.1547-0.06420.08890.30390.1427-0.3453-0.35580.65880.0120.2296-0.09190.00250.1877-0.05770.198996.9154-16.1248-1.1827
150.32821.8704-0.100310.9485-0.34150.21320.03010.00230.03440.1320.02240.1428-0.03150.0116-0.05240.25610.0278-0.02070.14750.01870.199380.8616-15.745-19.1212
160.1149-0.8523-0.5459.5343.09922.87720.0610.01330.0582-0.11020.2548-0.0939-0.3841-0.1575-0.31580.19850.19620.02520.21770.00360.396152.6699-5.3225-8.755
172.59460.83010.55643.259-0.63453.5970.1839-0.11520.26350.0887-0.06030.6014-0.2147-0.8462-0.12370.24420.07170.0280.2172-0.00470.367263.8794-22.9404-5.155
1811.79692.70985.35594.67421.00255.3567-0.1001-0.89140.54010.631-0.1770.5190.0081-0.21340.27710.48140.12460.11510.1273-0.09930.463165.4854-4.1086-0.343
193.29650.6579-1.51863.9216-0.9136.06570.043-0.32750.4030.32770.10440.8304-0.4303-1.3362-0.14740.19540.12770.13770.4483-0.05590.42357.9942-20.41591.1781
201.7349-5.00064.455414.459-12.874711.47380.0663-0.0375-0.0843-0.08820.13430.28040.0864-0.0961-0.20060.2367-0.01120.05380.23350.03110.272181.794825.623116.4175
214.9206-6.6694-7.177729.925328.089626.61260.06170.2262-0.20890.3118-0.57470.50860.2496-0.57560.5130.3532-0.09420.01040.3822-0.02290.256479.114220.49838.1266
222.483-4.79492.73049.3302-5.31843.03860.3638-0.1518-0.4384-0.90280.16880.83220.5331-0.1115-0.53260.7280.0882-0.00370.56240.16020.567174.90920.22965.2478
2327.35033.861-15.38170.55-2.17138.6508-0.5095-0.2483-0.9775-0.0289-0.0459-0.09980.27960.13330.55530.87610.0293-0.12490.3255-0.06290.837370.967626.98235.1053
240.10860.1115-0.29420.1283-0.31980.82280.0019-0.046-0.0205-0.0609-0.02380.01750.09660.10480.0220.425-0.005-0.10170.20780.02190.266683.5713-26.9649-32.6985
2512.240812.3791-1.271719.734-9.31999.0784-0.902-0.23490.28310.57410.68420.0722-1.5675-0.99770.21780.53490.1776-0.08980.17310.01920.144979.8488-21.5871-24.9956
2610.1411-7.3052-3.11597.12752.51241.00230.0546-0.14920.7252-0.27810.2247-0.6378-0.04670.0511-0.27930.41460.03950.06550.18030.04810.317775.4905-20.9294-22.9497
2712.7896-4.62717.13381.6774-2.58183.98060.2210.3831-0.0637-0.1115-0.16260.04140.13120.2132-0.05840.55650.0179-0.08510.3392-0.09020.325571.1456-27.1592-23.8284
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A6798 - 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 - 7096
15X-RAY DIFFRACTION15C7101
16X-RAY DIFFRACTION16D4271 - 4286
17X-RAY DIFFRACTION17D4287 - 4332
18X-RAY DIFFRACTION18D4333 - 4342
19X-RAY DIFFRACTION19D4343 - 4385
20X-RAY DIFFRACTION20E0
21X-RAY DIFFRACTION21E1
22X-RAY DIFFRACTION22E2
23X-RAY DIFFRACTION23E3
24X-RAY DIFFRACTION24F0
25X-RAY DIFFRACTION25F1
26X-RAY DIFFRACTION26F2
27X-RAY DIFFRACTION27F3 - 4

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