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- PDB-5vmt: Crystal structure of a glyceraldehyde-3-phosphate dehydrogenase f... -

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Basic information

Entry
Database: PDB / ID: 5vmt
TitleCrystal structure of a glyceraldehyde-3-phosphate dehydrogenase from Neisseria gonorrhoeae bound to NAD
ComponentsGlyceraldehyde-3-phosphate dehydrogenase
KeywordsOXIDOREDUCTASE / NIAID / structural genomics / co-factor / glycolysis / Seattle Structural Genomics Center for Infectious Disease / SSGCID
Function / homology
Function and homology information


Oxidoreductases; Acting on the aldehyde or oxo group of donors; With NAD+ or NADP+ as acceptor / oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor / glucose metabolic process / NAD binding / NADP binding / cytoplasm
Similarity search - Function
Glyceraldehyde-3-phosphate dehydrogenase, type I / Glyceraldehyde 3-phosphate dehydrogenase, active site / Glyceraldehyde 3-phosphate dehydrogenase active site. / Glyceraldehyde 3-phosphate dehydrogenase, NAD binding domain / Glyceraldehyde 3-phosphate dehydrogenase, NAD(P) binding domain / Glyceraldehyde 3-phosphate dehydrogenase, catalytic domain / Glyceraldehyde/Erythrose phosphate dehydrogenase family / Glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain / Glyceraldehyde 3-phosphate dehydrogenase, NAD binding domain / Dihydrodipicolinate Reductase; domain 2 ...Glyceraldehyde-3-phosphate dehydrogenase, type I / Glyceraldehyde 3-phosphate dehydrogenase, active site / Glyceraldehyde 3-phosphate dehydrogenase active site. / Glyceraldehyde 3-phosphate dehydrogenase, NAD binding domain / Glyceraldehyde 3-phosphate dehydrogenase, NAD(P) binding domain / Glyceraldehyde 3-phosphate dehydrogenase, catalytic domain / Glyceraldehyde/Erythrose phosphate dehydrogenase family / Glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain / Glyceraldehyde 3-phosphate dehydrogenase, NAD binding domain / Dihydrodipicolinate Reductase; domain 2 / Dihydrodipicolinate Reductase; domain 2 / NAD(P)-binding domain superfamily / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
NICOTINAMIDE-ADENINE-DINUCLEOTIDE / Glyceraldehyde-3-phosphate dehydrogenase
Similarity search - Component
Biological speciesNeisseria gonorrhoeae (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.5 Å
AuthorsSeattle Structural Genomics Center for Infectious Disease (SSGCID)
CitationJournal: Protein Sci. / Year: 2020
Title: Structures of glyceraldehyde 3-phosphate dehydrogenase in Neisseria gonorrhoeae and Chlamydia trachomatis.
Authors: Barrett, K.F. / Dranow, D.M. / Phan, I.Q. / Michaels, S.A. / Shaheen, S. / Navaluna, E.D. / Craig, J.K. / Tillery, L.M. / Choi, R. / Edwards, T.E. / Conrady, D.G. / Abendroth, J. / Horanyi, ...Authors: Barrett, K.F. / Dranow, D.M. / Phan, I.Q. / Michaels, S.A. / Shaheen, S. / Navaluna, E.D. / Craig, J.K. / Tillery, L.M. / Choi, R. / Edwards, T.E. / Conrady, D.G. / Abendroth, J. / Horanyi, P.S. / Lorimer, D.D. / Van Voorhis, W.C. / Zhang, Z. / Barrett, L.K. / Subramanian, S. / Staker, B. / Fan, E. / Myler, P.J. / Soge, O.O. / Hybiske, K. / Ojo, K.K.
History
DepositionApr 28, 2017Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 10, 2017Provider: repository / Type: Initial release
Revision 1.1Mar 11, 2020Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Oct 4, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _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
A: Glyceraldehyde-3-phosphate dehydrogenase
B: Glyceraldehyde-3-phosphate dehydrogenase
C: Glyceraldehyde-3-phosphate dehydrogenase
D: Glyceraldehyde-3-phosphate dehydrogenase
E: Glyceraldehyde-3-phosphate dehydrogenase
F: Glyceraldehyde-3-phosphate dehydrogenase
G: Glyceraldehyde-3-phosphate dehydrogenase
H: Glyceraldehyde-3-phosphate dehydrogenase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)300,15822
Polymers294,6388
Non-polymers5,52014
Water11,638646
1
A: Glyceraldehyde-3-phosphate dehydrogenase
B: Glyceraldehyde-3-phosphate dehydrogenase
C: Glyceraldehyde-3-phosphate dehydrogenase
D: Glyceraldehyde-3-phosphate dehydrogenase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)150,11512
Polymers147,3194
Non-polymers2,7968
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area20300 Å2
ΔGint-170 kcal/mol
Surface area42560 Å2
MethodPISA
2
E: Glyceraldehyde-3-phosphate dehydrogenase
F: Glyceraldehyde-3-phosphate dehydrogenase
G: Glyceraldehyde-3-phosphate dehydrogenase
H: Glyceraldehyde-3-phosphate dehydrogenase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)150,04410
Polymers147,3194
Non-polymers2,7256
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area19510 Å2
ΔGint-154 kcal/mol
Surface area41250 Å2
MethodPISA
Unit cell
Length a, b, c (Å)142.450, 132.100, 156.000
Angle α, β, γ (deg.)90.000, 94.560, 90.000
Int Tables number5
Space group name H-MC121
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and (resid 7 or (resid 8 and (name...
21(chain B and (resid 7 or (resid 8 and (name...
31(chain C and (resid 7 through 17 or (resid 18...
41(chain D and (resid 7 or (resid 8 and (name...
51(chain E and (resid 7 or (resid 8 and (name...
61(chain F and (resid 7 or (resid 8 and (name...
71(chain G and (resid 7 or (resid 8 and (name...
81(chain H and (resid 7 or (resid 8 and (name...

NCS domain segments:

Ens-ID: 1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11ILEILEILEILE(chain A and (resid 7 or (resid 8 and (name...AA715
12ASNASNASNASN(chain A and (resid 7 or (resid 8 and (name...AA816
13METMETNADNAD(chain A and (resid 7 or (resid 8 and (name...AA - I1 - 4019
14METMETNADNAD(chain A and (resid 7 or (resid 8 and (name...AA - I1 - 4019
15METMETNADNAD(chain A and (resid 7 or (resid 8 and (name...AA - I1 - 4019
16METMETNADNAD(chain A and (resid 7 or (resid 8 and (name...AA - I1 - 4019
21ILEILEILEILE(chain B and (resid 7 or (resid 8 and (name...BB715
22ASNASNASNASN(chain B and (resid 7 or (resid 8 and (name...BB816
23METMETNADNAD(chain B and (resid 7 or (resid 8 and (name...BB - L1 - 4019
24METMETNADNAD(chain B and (resid 7 or (resid 8 and (name...BB - L1 - 4019
25METMETNADNAD(chain B and (resid 7 or (resid 8 and (name...BB - L1 - 4019
26METMETNADNAD(chain B and (resid 7 or (resid 8 and (name...BB - L1 - 4019
31ILEILEALAALA(chain C and (resid 7 through 17 or (resid 18...CC7 - 1715 - 25
32LEULEULEULEU(chain C and (resid 7 through 17 or (resid 18...CC1826
33LYSLYSNADNAD(chain C and (resid 7 through 17 or (resid 18...CC - M4 - 40112
34LYSLYSNADNAD(chain C and (resid 7 through 17 or (resid 18...CC - M4 - 40112
35LYSLYSNADNAD(chain C and (resid 7 through 17 or (resid 18...CC - M4 - 40112
36LYSLYSNADNAD(chain C and (resid 7 through 17 or (resid 18...CC - M4 - 40112
41ILEILEILEILE(chain D and (resid 7 or (resid 8 and (name...DD715
42ASNASNASNASN(chain D and (resid 7 or (resid 8 and (name...DD816
43HISHISNADNAD(chain D and (resid 7 or (resid 8 and (name...DD - O0 - 4018
44HISHISNADNAD(chain D and (resid 7 or (resid 8 and (name...DD - O0 - 4018
45HISHISNADNAD(chain D and (resid 7 or (resid 8 and (name...DD - O0 - 4018
46HISHISNADNAD(chain D and (resid 7 or (resid 8 and (name...DD - O0 - 4018
51ILEILEILEILE(chain E and (resid 7 or (resid 8 and (name...EE715
52ASNASNASNASN(chain E and (resid 7 or (resid 8 and (name...EE816
53ILEILENADNAD(chain E and (resid 7 or (resid 8 and (name...EE - Q7 - 40115
54ILEILENADNAD(chain E and (resid 7 or (resid 8 and (name...EE - Q7 - 40115
55ILEILENADNAD(chain E and (resid 7 or (resid 8 and (name...EE - Q7 - 40115
56ILEILENADNAD(chain E and (resid 7 or (resid 8 and (name...EE - Q7 - 40115
61ILEILEILEILE(chain F and (resid 7 or (resid 8 and (name...FF715
62ASNASNASNASN(chain F and (resid 7 or (resid 8 and (name...FF816
63METMETNADNAD(chain F and (resid 7 or (resid 8 and (name...FF - S1 - 4019
64METMETNADNAD(chain F and (resid 7 or (resid 8 and (name...FF - S1 - 4019
65METMETNADNAD(chain F and (resid 7 or (resid 8 and (name...FF - S1 - 4019
66METMETNADNAD(chain F and (resid 7 or (resid 8 and (name...FF - S1 - 4019
71ILEILEILEILE(chain G and (resid 7 or (resid 8 and (name...GG715
72ASNASNASNASN(chain G and (resid 7 or (resid 8 and (name...GG816
73ILEILENADNAD(chain G and (resid 7 or (resid 8 and (name...GG - U3 - 40111
74ILEILENADNAD(chain G and (resid 7 or (resid 8 and (name...GG - U3 - 40111
75ILEILENADNAD(chain G and (resid 7 or (resid 8 and (name...GG - U3 - 40111
76ILEILENADNAD(chain G and (resid 7 or (resid 8 and (name...GG - U3 - 40111
81ILEILEILEILE(chain H and (resid 7 or (resid 8 and (name...HH715
82ASNASNASNASN(chain H and (resid 7 or (resid 8 and (name...HH816
83SERSERNADNAD(chain H and (resid 7 or (resid 8 and (name...HH - V2 - 40110
84SERSERNADNAD(chain H and (resid 7 or (resid 8 and (name...HH - V2 - 40110
85SERSERNADNAD(chain H and (resid 7 or (resid 8 and (name...HH - V2 - 40110
86SERSERNADNAD(chain H and (resid 7 or (resid 8 and (name...HH - V2 - 40110

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Components

#1: Protein
Glyceraldehyde-3-phosphate dehydrogenase


Mass: 36829.789 Da / Num. of mol.: 8 / Fragment: residues 24-357
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Neisseria gonorrhoeae (bacteria) / Strain: NCCP11945 / Gene: NGK_2321 / Production host: Escherichia coli (E. coli)
References: UniProt: B4RPP8, Oxidoreductases; Acting on the aldehyde or oxo group of donors; With NAD+ or NADP+ as acceptor
#2: Chemical
ChemComp-NAD / NICOTINAMIDE-ADENINE-DINUCLEOTIDE


Mass: 663.425 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C21H27N7O14P2 / Comment: NAD*YM
#3: Chemical
ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Cl
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 646 / Source method: isolated from a natural source / 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: 2.48 Å3/Da / Density % sol: 50.46 %
Crystal growTemperature: 289 K / Method: vapor diffusion, sitting drop / pH: 7.5
Details: NegoA.00617.a.B1.PS38018 at 21.2 mg/mL with 3 mM NAD against JCSG+ screen condition A9 0.2 M ammonium chloride, 25% PEG 3350 supplemented with 20% ethylene glycol and 3 mM NAD as ...Details: NegoA.00617.a.B1.PS38018 at 21.2 mg/mL with 3 mM NAD against JCSG+ screen condition A9 0.2 M ammonium chloride, 25% PEG 3350 supplemented with 20% ethylene glycol and 3 mM NAD as cryoprotectant, crystal tracking ID 284230a9, unique puck ID giy4-10

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 21-ID-F / Wavelength: 0.97872 Å
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Nov 9, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97872 Å / Relative weight: 1
ReflectionResolution: 2.5→45.485 Å / Num. obs: 99272 / % possible obs: 99.8 % / Observed criterion σ(I): -3 / Redundancy: 3.816 % / Biso Wilson estimate: 41.89 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.066 / Rrim(I) all: 0.077 / Χ2: 0.983 / Net I/σ(I): 15.53
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. unique obsCC1/2Rrim(I) all% possible all
2.5-2.563.8620.4912.8473530.8220.57100
2.56-2.643.8650.4093.4171530.860.47599.9
2.64-2.713.8680.3064.4669030.9160.35599.9
2.71-2.83.8690.2555.3768010.9370.29699.9
2.8-2.893.8660.2086.5565070.9580.241100
2.89-2.993.870.177.8463090.9720.19799.9
2.99-3.13.8620.1359.6661290.980.157100
3.1-3.233.8540.112.7658780.9890.116100
3.23-3.373.840.07815.7956350.9930.09199.9
3.37-3.543.8250.06518.2753930.9950.07699.9
3.54-3.733.8150.05621.1651550.9960.06599.9
3.73-3.953.790.0523.3448130.9960.05899.9
3.95-4.233.7790.04227.3346120.9970.04999.8
4.23-4.563.7510.03630.6542250.9980.04299.6
4.56-53.7420.03531.3738920.9980.04199.7
5-5.593.7180.03530.435580.9980.04199.7
5.59-6.453.730.03730.2931470.9970.04399.9
6.45-7.913.6760.03333.7826490.9980.03899.5
7.91-11.183.5950.02839.1720670.9980.03399.1
11.18-45.4853.3830.02938.7310930.9980.03494.1

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Processing

Software
NameVersionClassification
XSCALEdata scaling
PHENIX(dev_2744)refinement
PDB_EXTRACT3.22data extraction
XDSdata reduction
MOLREPphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4QX6

4qx6


Resolution: 2.5→45.485 Å / SU ML: 0.3 / Cross valid method: NONE / σ(F): 1.35 / Phase error: 21.6
RfactorNum. reflection% reflection
Rfree0.219 1994 2.01 %
Rwork0.165 --
obs0.1661 99255 99.79 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 152.7 Å2 / Biso mean: 53.9116 Å2 / Biso min: 20.38 Å2
Refinement stepCycle: final / Resolution: 2.5→45.485 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms19016 0 358 646 20020
Biso mean--51.8 43.97 -
Num. residues----2616
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00719698
X-RAY DIFFRACTIONf_angle_d0.93626874
X-RAY DIFFRACTIONf_chiral_restr0.0573194
X-RAY DIFFRACTIONf_plane_restr0.0073662
X-RAY DIFFRACTIONf_dihedral_angle_d13.53111817
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A9598X-RAY DIFFRACTION6.677TORSIONAL
12B9598X-RAY DIFFRACTION6.677TORSIONAL
13C9598X-RAY DIFFRACTION6.677TORSIONAL
14D9598X-RAY DIFFRACTION6.677TORSIONAL
15E9598X-RAY DIFFRACTION6.677TORSIONAL
16F9598X-RAY DIFFRACTION6.677TORSIONAL
17G9598X-RAY DIFFRACTION6.677TORSIONAL
18H9598X-RAY DIFFRACTION6.677TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 14

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.5-2.56250.27611600.215669357095100
2.5625-2.63180.25911450.203969247069100
2.6318-2.70920.25651470.189669127059100
2.7092-2.79670.25061610.191169157076100
2.7967-2.89660.28381230.198169267049100
2.8966-3.01260.27621410.194569517092100
3.0126-3.14970.25131590.189969257084100
3.1497-3.31570.23121320.178869607092100
3.3157-3.52330.25771500.183268997049100
3.5233-3.79520.24291420.168569647106100
3.7952-4.17690.19711610.146269487109100
4.1769-4.78080.14671300.124469627092100
4.7808-6.02110.17671250.143870217146100
6.0211-45.49240.19321180.15527019713799
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)
13.44791.5680.0452.55870.35015.3829-0.0142-0.17690.07450.29140.0467-0.02130.1741-0.1181-0.04180.26860.0602-0.02060.22040.00090.300651.503817.102537.178
20.59950.39780.92811.53011.03664.39-0.2061-0.02120.2549-0.08770.2133-0.1173-0.92590.0418-0.0230.51330.0424-0.02010.23290.00070.461450.787828.415519.3205
31.18480.31670.28231.15210.37841.2167-0.06990.04720.1772-0.0810.0526-0.0386-0.32740.08180.00080.3823-0.0060.03960.1611-0.00040.333147.327715.73689.4845
42222220.0406-2.90653.73132.546-2.9126-3.38674.760613.30542.87980.6624-0.01750.06530.54540.21890.853764.468133.561924.2723
51.64741.5388-0.09063.30.62084.9024-0.0108-0.0361-0.151-0.1169-0.07170.34540.6384-0.28370.09470.36390.022-0.0210.18650.04580.477221.6409-17.668-1.2468
61.02690.27870.56820.5817-0.01941.6045-0.03860.04430.0741-0.1887-0.01850.1863-0.1916-0.0670.05490.37630.03910.01350.1765-0.01490.342930.78915.8952-3.927
74.6608-1.0838-0.88962.65390.38924.47830.0178-0.28790.35470.6350.22290.8349-0.6929-0.938-0.15730.52110.19180.15780.5151-0.01450.705712.47711.563722.2978
85.0202-0.37290.09411.418-0.11795.6150.0181-0.30310.70160.73730.11930.8056-1.6064-0.9609-0.15311.01940.31770.23040.710.03671.02757.765220.711525.4141
91.9491-0.3184-0.59031.04841.12421.2394-0.1357-1.09930.94461.25080.35480.4153-1.4712-0.3011-0.15851.48320.30930.18250.8276-0.09270.737711.474612.425941.6609
101.93550.45220.02890.7091-0.0951.62120.0616-0.3464-0.01540.4683-0.02540.4205-0.025-0.5888-0.01190.488-0.00270.19870.48230.01980.456519.329-8.03236.3876
115.2728-0.4192.48261.4284-0.71514.67410.08590.2021-0.0208-0.08830.0336-0.46630.20840.374-0.10530.31640.03670.06710.1872-0.02720.46760.276-12.602416.7311
121.37040.3182-1.13432.1442-0.44452.9885-0.09930.0207-0.32160.02460.0308-0.31220.89130.14550.11120.60310.0388-0.04750.23450.01620.549154.5376-26.523525.1887
130.8669-0.05090.92980.8204-0.34931.63840.0931-0.169-0.17050.2421-0.00910.05540.4461-0.1538-0.10560.4534-0.0330.08070.2310.03180.396535.6135-18.001330.956
142.17370.0335-0.06991.9539-0.39633.17480.0871-0.19160.07530.6571-0.032-0.1774-0.00220.0091-0.0680.5229-0.0349-0.04270.18170.00580.335246.568-11.897740.1625
153.14920.1212-1.90634.08641.08394.52980.1095-0.7377-0.64280.2792-0.22480.3580.707-0.66710.13860.5055-0.06380.15761.47630.35720.811477.1333-18.69668.0686
160.4192-0.3416-0.99830.28030.81392.3737-0.0327-0.7199-0.60370.3821-0.06990.2840.1216-0.38040.17560.54740.16120.1181.81880.4860.729777.7401-12.905472.0264
172.5771-0.5188-0.84193.17470.33367.3906-0.0159-0.6288-0.6960.40360.24860.14551.2905-0.1585-0.13820.6168-0.02940.06130.82870.41640.976782.2795-30.249554.8451
182.55172.3576-1.20133.16271.38086.89420.035-0.821-1.02510.3362-0.22330.23480.8442-0.45820.23780.4028-0.00190.10790.54620.26550.987680.6667-25.188146.6658
191.2690.09620.5571.17130.56361.721-0.0608-0.5248-0.68120.03530.05570.18590.2091-0.2898-0.00520.32360.05450.0850.42870.20020.589487.7743-14.81146.1912
203.2071-0.34530.60724.0829-1.92274.0978-0.123-0.35510.4124-0.0601-0.0651-0.375-0.7012-0.00870.17030.43990.0351-0.0370.2324-0.04740.3763114.385319.364345.4928
211.7992-0.2445-0.09390.48210.34811.5333-0.0872-0.1762-0.3136-0.1273-0.0048-0.01450.0060.05280.07870.33190.06990.04220.21640.0760.3642107.0062-3.47338.2402
220.7394-1.53670.75144.3155-0.42441.9183-0.1009-0.5008-0.45540.31580.3414-0.30150.20560.2412-0.20080.39830.19960.0241.08520.37030.6434118.0574-11.580568.6303
230.8781.695-1.26373.2741-2.35054.59590.1566-0.46-0.25880.430.1191-0.22660.3559-0.087-0.29890.65930.34690.09931.1710.50731.0039120.6405-21.336971.8095
241.10920.4479-0.31220.82210.48511.2171-0.1264-0.9805-0.27910.4919-0.2826-0.32090.4225-0.05220.08630.73190.2889-0.08571.65960.28190.4753113.6612-2.827286.9817
251.5940.71960.33970.41040.22260.702-0.2252-1.4063-0.0070.3353-0.0052-0.0508-0.0484-0.2158-0.02370.52550.3221-0.08811.5130.00340.3908106.18937.288878.9351
262.3385-0.160.16122.01330.94425.4061-0.1415-0.70030.4979-0.12510.10420.1227-0.61420.30520.03330.38180.1074-0.05280.5583-0.14870.496873.666920.437355.419
270.0407-0.0461-0.1210.05820.11290.2971-0.3838-1.31540.36910.24990.13860.0607-0.2262-0.1981-0.14750.56110.4567-0.01881.6505-0.30420.427785.975414.311675.4776
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 84 )A1 - 84
2X-RAY DIFFRACTION2chain 'A' and (resid 85 through 179 )A85 - 179
3X-RAY DIFFRACTION3chain 'A' and (resid 180 through 332 )A180 - 332
4X-RAY DIFFRACTION4chain 'A' and (resid 333 through 333 )A333
5X-RAY DIFFRACTION5chain 'B' and (resid 1 through 119 )B1 - 119
6X-RAY DIFFRACTION6chain 'B' and (resid 120 through 334 )B120 - 334
7X-RAY DIFFRACTION7chain 'C' and (resid 4 through 57 )C4 - 57
8X-RAY DIFFRACTION8chain 'C' and (resid 58 through 91 )C58 - 91
9X-RAY DIFFRACTION9chain 'C' and (resid 92 through 129 )C92 - 129
10X-RAY DIFFRACTION10chain 'C' and (resid 130 through 333 )C130 - 333
11X-RAY DIFFRACTION11chain 'D' and (resid 0 through 67 )D0 - 67
12X-RAY DIFFRACTION12chain 'D' and (resid 68 through 167 )D68 - 167
13X-RAY DIFFRACTION13chain 'D' and (resid 168 through 254 )D168 - 254
14X-RAY DIFFRACTION14chain 'D' and (resid 255 through 333 )D255 - 333
15X-RAY DIFFRACTION15chain 'E' and (resid 7 through 37 )E7 - 37
16X-RAY DIFFRACTION16chain 'E' and (resid 38 through 98 )E38 - 98
17X-RAY DIFFRACTION17chain 'E' and (resid 99 through 138 )E99 - 138
18X-RAY DIFFRACTION18chain 'E' and (resid 139 through 166 )E139 - 166
19X-RAY DIFFRACTION19chain 'E' and (resid 167 through 332 )E167 - 332
20X-RAY DIFFRACTION20chain 'F' and (resid 1 through 111 )F1 - 111
21X-RAY DIFFRACTION21chain 'F' and (resid 112 through 333 )F112 - 333
22X-RAY DIFFRACTION22chain 'G' and (resid 3 through 57 )G3 - 57
23X-RAY DIFFRACTION23chain 'G' and (resid 58 through 85 )G58 - 85
24X-RAY DIFFRACTION24chain 'G' and (resid 86 through 179 )G86 - 179
25X-RAY DIFFRACTION25chain 'G' and (resid 180 through 334 )G180 - 334
26X-RAY DIFFRACTION26chain 'H' and (resid 2 through 150 )H2 - 150
27X-RAY DIFFRACTION27chain 'H' and (resid 151 through 333 )H151 - 333

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