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- PDB-8dgw: Crystal structure of HCoV-HKU1 spike stem helix peptide in comple... -

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Basic information

Entry
Database: PDB / ID: 8dgw
TitleCrystal structure of HCoV-HKU1 spike stem helix peptide in complex with Fab of broadly neutralizing antibody CC95.108 isolated from a vaccinated COVID-19 convalescent
Components
  • Antibody CC95.108 Fab heavy chain
  • Antibody CC95.108 Fab light chain
  • Spike protein S2'
KeywordsIMMUNE SYSTEM / broadly / neutralizing / antibody / pan-betacoronavirus / S2 stem helix / spike / SARS-CoV-2 / MERS-CoV / HCoV-HKU1 / sarbecovirus / cross-reactive / cross-neutralizing
Function / homology
Function and homology information


endocytosis involved in viral entry into host cell / host cell endoplasmic reticulum-Golgi intermediate compartment membrane / receptor-mediated virion attachment to host cell / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / host cell plasma membrane / virion membrane / membrane
Similarity search - Function
Spike (S) protein S1 subunit, N-terminal domain, murine hepatitis virus-like / Spike glycoprotein S2, coronavirus, C-terminal / Coronavirus spike glycoprotein S2, intravirion / Betacoronavirus spike (S) glycoprotein S1 subunit N-terminal (NTD) domain profile. / Spike glycoprotein, N-terminal domain superfamily / Betacoronavirus spike (S) glycoprotein S1 subunit C-terminal (CTD) domain profile. / Spike glycoprotein, betacoronavirus / Spike (S) protein S1 subunit, receptor-binding domain, betacoronavirus / Spike S1 subunit, receptor binding domain superfamily, betacoronavirus / Betacoronavirus spike glycoprotein S1, receptor binding ...Spike (S) protein S1 subunit, N-terminal domain, murine hepatitis virus-like / Spike glycoprotein S2, coronavirus, C-terminal / Coronavirus spike glycoprotein S2, intravirion / Betacoronavirus spike (S) glycoprotein S1 subunit N-terminal (NTD) domain profile. / Spike glycoprotein, N-terminal domain superfamily / Betacoronavirus spike (S) glycoprotein S1 subunit C-terminal (CTD) domain profile. / Spike glycoprotein, betacoronavirus / Spike (S) protein S1 subunit, receptor-binding domain, betacoronavirus / Spike S1 subunit, receptor binding domain superfamily, betacoronavirus / Betacoronavirus spike glycoprotein S1, receptor binding / Spike glycoprotein S1, N-terminal domain, betacoronavirus-like / Betacoronavirus-like spike glycoprotein S1, N-terminal / Spike glycoprotein S2, coronavirus, heptad repeat 1 / Spike glycoprotein S2, coronavirus, heptad repeat 2 / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 2 (HR2) region profile. / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 1 (HR1) region profile. / Spike glycoprotein S2 superfamily, coronavirus / Spike glycoprotein S2, coronavirus / Coronavirus spike glycoprotein S2 / Coronavirus spike glycoprotein S1, C-terminal / Coronavirus spike glycoprotein S1, C-terminal
Similarity search - Domain/homology
Biological speciesHomo sapiens (human)
Human coronavirus HKU1
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.81 Å
AuthorsLiu, H. / Wilson, I.A.
Funding support United States, 1items
OrganizationGrant numberCountry
Bill & Melinda Gates FoundationINV-004923 United States
CitationJournal: Immunity / Year: 2023
Title: Broadly neutralizing anti-S2 antibodies protect against all three human betacoronaviruses that cause deadly disease.
Authors: Zhou, P. / Song, G. / Liu, H. / Yuan, M. / He, W.T. / Beutler, N. / Zhu, X. / Tse, L.V. / Martinez, D.R. / Schafer, A. / Anzanello, F. / Yong, P. / Peng, L. / Dueker, K. / Musharrafieh, R. / ...Authors: Zhou, P. / Song, G. / Liu, H. / Yuan, M. / He, W.T. / Beutler, N. / Zhu, X. / Tse, L.V. / Martinez, D.R. / Schafer, A. / Anzanello, F. / Yong, P. / Peng, L. / Dueker, K. / Musharrafieh, R. / Callaghan, S. / Capozzola, T. / Limbo, O. / Parren, M. / Garcia, E. / Rawlings, S.A. / Smith, D.M. / Nemazee, D. / Jardine, J.G. / Safonova, Y. / Briney, B. / Rogers, T.F. / Wilson, I.A. / Baric, R.S. / Gralinski, L.E. / Burton, D.R. / Andrabi, R.
History
DepositionJun 24, 2022Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 25, 2023Provider: repository / Type: Initial release
Revision 1.1Mar 1, 2023Group: Database references / Category: citation / citation_author / Item: _citation.pdbx_database_id_DOI
Revision 1.2Mar 22, 2023Group: Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.3Oct 25, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id ..._struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
H: Antibody CC95.108 Fab heavy chain
L: Antibody CC95.108 Fab light chain
A: Antibody CC95.108 Fab heavy chain
B: Antibody CC95.108 Fab light chain
C: Antibody CC95.108 Fab heavy chain
D: Antibody CC95.108 Fab light chain
E: Antibody CC95.108 Fab heavy chain
F: Antibody CC95.108 Fab light chain
G: Spike protein S2'
I: Spike protein S2'
J: Spike protein S2'
K: Spike protein S2'


Theoretical massNumber of molelcules
Total (without water)196,93512
Polymers196,93512
Non-polymers00
Water0
1
H: Antibody CC95.108 Fab heavy chain
L: Antibody CC95.108 Fab light chain
G: Spike protein S2'


Theoretical massNumber of molelcules
Total (without water)49,2343
Polymers49,2343
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4470 Å2
ΔGint-30 kcal/mol
Surface area19860 Å2
MethodPISA
2
A: Antibody CC95.108 Fab heavy chain
B: Antibody CC95.108 Fab light chain
I: Spike protein S2'


Theoretical massNumber of molelcules
Total (without water)49,2343
Polymers49,2343
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4720 Å2
ΔGint-31 kcal/mol
Surface area19860 Å2
MethodPISA
3
C: Antibody CC95.108 Fab heavy chain
D: Antibody CC95.108 Fab light chain
J: Spike protein S2'


Theoretical massNumber of molelcules
Total (without water)49,2343
Polymers49,2343
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4370 Å2
ΔGint-33 kcal/mol
Surface area20090 Å2
MethodPISA
4
E: Antibody CC95.108 Fab heavy chain
F: Antibody CC95.108 Fab light chain
K: Spike protein S2'


Theoretical massNumber of molelcules
Total (without water)49,2343
Polymers49,2343
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4330 Å2
ΔGint-31 kcal/mol
Surface area20110 Å2
MethodPISA
Unit cell
Length a, b, c (Å)157.422, 157.422, 205.095
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number146
Space group name H-MH3
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and (resid 1 through 126 or (resid 127...
21(chain C and (resid 1 through 126 or (resid 127...
31(chain E and (resid 1 through 126 or (resid 127...
41(chain H and (resid 1 through 60 or (resid 61...
12(chain B and (resid 3 through 110 or (resid 111...
22(chain D and (resid 3 through 17 or (resid 18...
32(chain F and (resid 3 through 17 or (resid 18...
42(chain L and (resid 3 through 16 or (resid 17...
13(chain G and (resid 1226 through 1242 or (resid 1243...
23(chain I and ((resid 1226 and (name N or name...
33(chain J and ((resid 1226 and (name N or name...
43(chain K and ((resid 1226 and (name N or name...

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
111GLNGLNPROPRO(chain A and (resid 1 through 126 or (resid 127...AC1 - 1261 - 130
121SERSERSERSER(chain A and (resid 1 through 126 or (resid 127...AC127131
131GLNGLNLYSLYS(chain A and (resid 1 through 126 or (resid 127...AC1 - 2141 - 218
141GLNGLNLYSLYS(chain A and (resid 1 through 126 or (resid 127...AC1 - 2141 - 218
151GLNGLNLYSLYS(chain A and (resid 1 through 126 or (resid 127...AC1 - 2141 - 218
161GLNGLNLYSLYS(chain A and (resid 1 through 126 or (resid 127...AC1 - 2141 - 218
211GLNGLNPROPRO(chain C and (resid 1 through 126 or (resid 127...CE1 - 1261 - 130
221SERSERSERSER(chain C and (resid 1 through 126 or (resid 127...CE127131
231GLNGLNSERSER(chain C and (resid 1 through 126 or (resid 127...CE1 - 2151 - 219
241GLNGLNSERSER(chain C and (resid 1 through 126 or (resid 127...CE1 - 2151 - 219
251GLNGLNSERSER(chain C and (resid 1 through 126 or (resid 127...CE1 - 2151 - 219
261GLNGLNSERSER(chain C and (resid 1 through 126 or (resid 127...CE1 - 2151 - 219
311GLNGLNPROPRO(chain E and (resid 1 through 126 or (resid 127...EG1 - 1261 - 130
321SERSERALAALA(chain E and (resid 1 through 126 or (resid 127...EG127 - 137131 - 141
331GLNGLNLYSLYS(chain E and (resid 1 through 126 or (resid 127...EG1 - 2141 - 218
341GLNGLNLYSLYS(chain E and (resid 1 through 126 or (resid 127...EG1 - 2141 - 218
351GLNGLNLYSLYS(chain E and (resid 1 through 126 or (resid 127...EG1 - 2141 - 218
361GLNGLNLYSLYS(chain E and (resid 1 through 126 or (resid 127...EG1 - 2141 - 218
411GLNGLNALAALA(chain H and (resid 1 through 60 or (resid 61...HA1 - 601 - 61
421GLNGLNGLNGLN(chain H and (resid 1 through 60 or (resid 61...HA6162
431GLNGLNPROPRO(chain H and (resid 1 through 60 or (resid 61...HA1 - 2131 - 217
441GLNGLNPROPRO(chain H and (resid 1 through 60 or (resid 61...HA1 - 2131 - 217
451GLNGLNPROPRO(chain H and (resid 1 through 60 or (resid 61...HA1 - 2131 - 217
461GLNGLNPROPRO(chain H and (resid 1 through 60 or (resid 61...HA1 - 2131 - 217
471VALVALVALVAL(chain H and (resid 1 through 60 or (resid 61...HA142146
481LYSLYSLYSLYS(chain H and (resid 1 through 60 or (resid 61...HA143147
491GLNGLNPROPRO(chain H and (resid 1 through 60 or (resid 61...HA1 - 2131 - 217
4101GLNGLNPROPRO(chain H and (resid 1 through 60 or (resid 61...HA1 - 2131 - 217
4111GLNGLNPROPRO(chain H and (resid 1 through 60 or (resid 61...HA1 - 2131 - 217
4121GLNGLNPROPRO(chain H and (resid 1 through 60 or (resid 61...HA1 - 2131 - 217
4131GLNGLNPROPRO(chain H and (resid 1 through 60 or (resid 61...HA1 - 2131 - 217
4141GLNGLNPROPRO(chain H and (resid 1 through 60 or (resid 61...HA1 - 2131 - 217
112VALVALPROPRO(chain B and (resid 3 through 110 or (resid 111...BD3 - 1103 - 113
122LYSLYSALAALA(chain B and (resid 3 through 110 or (resid 111...BD111 - 113114 - 116
132VALVALPROPRO(chain B and (resid 3 through 110 or (resid 111...BD3 - 2093 - 212
142VALVALPROPRO(chain B and (resid 3 through 110 or (resid 111...BD3 - 2093 - 212
152VALVALPROPRO(chain B and (resid 3 through 110 or (resid 111...BD3 - 2093 - 212
162VALVALPROPRO(chain B and (resid 3 through 110 or (resid 111...BD3 - 2093 - 212
212VALVALARGARG(chain D and (resid 3 through 17 or (resid 18...DF3 - 173 - 16
222LYSLYSLYSLYS(chain D and (resid 3 through 17 or (resid 18...DF1817
232VALVALPROPRO(chain D and (resid 3 through 17 or (resid 18...DF3 - 2093 - 212
242VALVALPROPRO(chain D and (resid 3 through 17 or (resid 18...DF3 - 2093 - 212
252VALVALPROPRO(chain D and (resid 3 through 17 or (resid 18...DF3 - 2093 - 212
262VALVALPROPRO(chain D and (resid 3 through 17 or (resid 18...DF3 - 2093 - 212
312VALVALARGARG(chain F and (resid 3 through 17 or (resid 18...FH3 - 173 - 16
322LYSLYSLYSLYS(chain F and (resid 3 through 17 or (resid 18...FH1817
332VALVALPROPRO(chain F and (resid 3 through 17 or (resid 18...FH3 - 2093 - 212
342VALVALPROPRO(chain F and (resid 3 through 17 or (resid 18...FH3 - 2093 - 212
352VALVALPROPRO(chain F and (resid 3 through 17 or (resid 18...FH3 - 2093 - 212
362VALVALPROPRO(chain F and (resid 3 through 17 or (resid 18...FH3 - 2093 - 212
412VALVALGLUGLU(chain L and (resid 3 through 16 or (resid 17...LB3 - 163 - 15
422ARGARGLYSLYS(chain L and (resid 3 through 16 or (resid 17...LB17 - 1816 - 17
432SERSERPROPRO(chain L and (resid 3 through 16 or (resid 17...LB2 - 2092 - 212
442SERSERPROPRO(chain L and (resid 3 through 16 or (resid 17...LB2 - 2092 - 212
452SERSERPROPRO(chain L and (resid 3 through 16 or (resid 17...LB2 - 2092 - 212
462SERSERPROPRO(chain L and (resid 3 through 16 or (resid 17...LB2 - 2092 - 212
113HISHISPHEPHE(chain G and (resid 1226 through 1242 or (resid 1243...GI1226 - 12421 - 17
123LYSLYSLYSLYS(chain G and (resid 1226 through 1242 or (resid 1243...GI124318
133HISHISGLNGLN(chain G and (resid 1226 through 1242 or (resid 1243...GI1226 - 12451 - 20
143HISHISGLNGLN(chain G and (resid 1226 through 1242 or (resid 1243...GI1226 - 12451 - 20
153HISHISGLNGLN(chain G and (resid 1226 through 1242 or (resid 1243...GI1226 - 12451 - 20
163HISHISGLNGLN(chain G and (resid 1226 through 1242 or (resid 1243...GI1226 - 12451 - 20
213HISHISHISHIS(chain I and ((resid 1226 and (name N or name...IJ12261
223HISHISGLNGLN(chain I and ((resid 1226 and (name N or name...IJ1226 - 12451 - 20
233HISHISGLNGLN(chain I and ((resid 1226 and (name N or name...IJ1226 - 12451 - 20
243HISHISGLNGLN(chain I and ((resid 1226 and (name N or name...IJ1226 - 12451 - 20
253HISHISGLNGLN(chain I and ((resid 1226 and (name N or name...IJ1226 - 12451 - 20
313HISHISHISHIS(chain J and ((resid 1226 and (name N or name...JK12261
323HISHISGLNGLN(chain J and ((resid 1226 and (name N or name...JK1226 - 12451 - 20
333HISHISGLNGLN(chain J and ((resid 1226 and (name N or name...JK1226 - 12451 - 20
343HISHISGLNGLN(chain J and ((resid 1226 and (name N or name...JK1226 - 12451 - 20
353HISHISGLNGLN(chain J and ((resid 1226 and (name N or name...JK1226 - 12451 - 20
413HISHISHISHIS(chain K and ((resid 1226 and (name N or name...KL12261
423HISHISGLNGLN(chain K and ((resid 1226 and (name N or name...KL1226 - 12451 - 20
433HISHISGLNGLN(chain K and ((resid 1226 and (name N or name...KL1226 - 12451 - 20
443HISHISGLNGLN(chain K and ((resid 1226 and (name N or name...KL1226 - 12451 - 20
453HISHISGLNGLN(chain K and ((resid 1226 and (name N or name...KL1226 - 12451 - 20

NCS ensembles :
ID
1
2
3

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Components

#1: Antibody
Antibody CC95.108 Fab heavy chain


Mass: 23503.342 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#2: Antibody
Antibody CC95.108 Fab light chain


Mass: 22841.285 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#3: Protein/peptide
Spike protein S2'


Mass: 2889.177 Da / Num. of mol.: 4 / Fragment: stem helix domain, residues 1226-1250 / Source method: obtained synthetically / Source: (synth.) Human coronavirus HKU1 (isolate N1) / References: UniProt: Q5MQD0

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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: 2.48 Å3/Da / Density % sol: 50.47 %
Crystal growTemperature: 293.15 K / Method: vapor diffusion, sitting drop / Details: 0.2 M Ammonium formate, 20% (w/v) PEG 3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SSRL / Beamline: BL12-1 / Wavelength: 0.97946 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Nov 22, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97946 Å / Relative weight: 1
ReflectionResolution: 2.8→50 Å / Num. obs: 45677 / % possible obs: 99.1 % / Redundancy: 4 % / Biso Wilson estimate: 49.62 Å2 / Rmerge(I) obs: 0.143 / Rpim(I) all: 0.08 / Rrim(I) all: 0.164 / Χ2: 0.893 / Net I/σ(I): 7.1 / Num. measured all: 184320
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique obsCC1/2Rpim(I) allRrim(I) allΧ2% possible all
2.8-2.853.51.13122310.3830.6781.3270.83797.9
2.85-2.93.61.05723030.4780.6141.2290.87398.2
2.9-2.964.20.80722580.6270.4450.9240.89799.9
2.96-3.024.20.76123110.6630.4190.8710.92499.9
3.02-3.084.20.61723010.7390.3410.7070.91399.9
3.08-3.154.20.49223310.8040.270.5630.91199.8
3.15-3.234.10.38423070.8750.2130.440.97100
3.23-3.324.20.32822730.9020.1810.3760.97199.8
3.32-3.424.10.26722780.9290.1480.3060.99499.5
3.42-3.534.10.2123180.9490.1170.2410.98299.5
3.53-3.654.10.16623160.9630.0930.1910.97199.4
3.65-3.840.14722520.9680.0830.1690.9699.4
3.8-3.9740.11222470.9810.0630.1290.93497.8
3.97-4.183.50.08822550.9820.0530.1030.88897.3
4.18-4.4440.07422980.9880.0420.0850.88499.4
4.44-4.794.30.06823030.9890.0370.0780.86399.9
4.79-5.274.30.06522920.9880.0360.0750.84799.7
5.27-6.034.20.06323100.9890.0350.0720.78799.8
6.03-7.5940.05722630.990.0320.0660.76598.3
7.59-503.90.04222300.9940.0230.0490.65796.7

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Processing

Software
NameVersionClassification
PHENIX1.19.2_4158refinement
HKL-2000data scaling
PDB_EXTRACT3.27data extraction
HKL-2000data reduction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 7JMW; 7KN4

7jmw

7kn4


Resolution: 2.81→39.36 Å / SU ML: 0.33 / Cross valid method: THROUGHOUT / σ(F): 1.98 / Phase error: 26.28 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2481 2257 5.12 %
Rwork0.2167 41791 -
obs0.2183 44048 95.01 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 134.64 Å2 / Biso mean: 51.3616 Å2 / Biso min: 18.82 Å2
Refinement stepCycle: final / Resolution: 2.81→39.36 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms13052 0 0 0 13052
Num. residues----1772
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A2524X-RAY DIFFRACTION10.787TORSIONAL
12C2524X-RAY DIFFRACTION10.787TORSIONAL
13E2524X-RAY DIFFRACTION10.787TORSIONAL
14H2524X-RAY DIFFRACTION10.787TORSIONAL
21B2472X-RAY DIFFRACTION10.787TORSIONAL
22D2472X-RAY DIFFRACTION10.787TORSIONAL
23F2472X-RAY DIFFRACTION10.787TORSIONAL
24L2472X-RAY DIFFRACTION10.787TORSIONAL
31G228X-RAY DIFFRACTION10.787TORSIONAL
32I228X-RAY DIFFRACTION10.787TORSIONAL
33J228X-RAY DIFFRACTION10.787TORSIONAL
34K228X-RAY DIFFRACTION10.787TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 16

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.81-2.870.3839750.31771591166657
2.87-2.930.34951210.312189231079
2.93-3.010.33211860.30362626281297
3.01-3.090.3431660.31032670283698
3.09-3.180.33781270.28942742286999
3.18-3.280.29881260.263727922918100
3.28-3.40.2522980.25422735283399
3.4-3.530.30241370.2512769290699
3.54-3.70.28781720.24952690286299
3.7-3.890.30571470.2192709285699
3.89-4.130.23121360.19872699283598
4.13-4.450.20521420.1772725286799
4.45-4.90.19721370.162927572894100
4.9-5.610.18321840.172327092893100
5.61-7.060.19821780.20022690286899
7.06-39.360.1971250.1712698282397
Refinement TLS params.Method: refined / Origin x: -8.3909 Å / Origin y: 35.1759 Å / Origin z: -12.2123 Å
111213212223313233
T0.2124 Å2-0.0152 Å20.0412 Å2-0.1369 Å2-0.0488 Å2--0.3289 Å2
L0.2958 °20.0067 °2-0.0686 °2-0.1238 °2-0.22 °2--0.8435 °2
S-0.0166 Å °0.0555 Å °-0.0885 Å °-0.0115 Å °-0.0189 Å °-0.0609 Å °0.0224 Å °0.012 Å °0.0421 Å °
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1allH1 - 213
2X-RAY DIFFRACTION1allL2 - 209
3X-RAY DIFFRACTION1allA1 - 214
4X-RAY DIFFRACTION1allB3 - 209
5X-RAY DIFFRACTION1allC1 - 215
6X-RAY DIFFRACTION1allD3 - 209
7X-RAY DIFFRACTION1allE1 - 214
8X-RAY DIFFRACTION1allF3 - 209
9X-RAY DIFFRACTION1allG1226 - 1245
10X-RAY DIFFRACTION1allI1226 - 1245
11X-RAY DIFFRACTION1allJ1226 - 1245
12X-RAY DIFFRACTION1allK1226 - 1245

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