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- PDB-5v7n: Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate r... -

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Basic information

Entry
Database: PDB / ID: 5v7n
TitleCrystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in complex with NADP and 2-Keto-D-gluconic acid
ComponentsNADPH-dependent glyoxylate/hydroxypyruvate reductase
KeywordsOXIDOREDUCTASE / NADPH-dependent glyoxylate/hydroxypyruvate reductase / NADP / NYSGRC / Sinorhizobium meliloti / Structural Genomics / PSI-Biology / New York Structural Genomics Research Consortium
Function / homology
Function and homology information


hydroxypyruvate reductase [NAD(P)H] activity / glyoxylate reductase (NADPH) activity / NAD binding / metal ion binding / cytosol
Similarity search - Function
D-isomer specific 2-hydroxyacid dehydrogenase, catalytic domain / D-isomer specific 2-hydroxyacid dehydrogenase, catalytic domain / D-isomer specific 2-hydroxyacid dehydrogenase, NAD-binding domain / D-isomer specific 2-hydroxyacid dehydrogenase, NAD binding domain / NAD(P)-binding Rossmann-like Domain / NAD(P)-binding domain superfamily / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
2-keto-D-gluconic acid / NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / DI(HYDROXYETHYL)ETHER / 2-hydroxyacid dehydrogenase
Similarity search - Component
Biological speciesRhizobium meliloti (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.75 Å
AuthorsShabalin, I.G. / Handing, K.B. / Miks, C.D. / Kutner, J. / Matelska, D. / Bonanno, J. / Almo, S.C. / Minor, W. / New York Structural Genomics Research Consortium (NYSGRC)
Funding support United States, 3items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM094662 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM117080 United States
National Institutes of Health/National Human Genome Research Institute (NIH/NHGRI)HG008424 United States
CitationJournal: Biochemistry / Year: 2018
Title: Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
Authors: Kutner, J. / Shabalin, I.G. / Matelska, D. / Handing, K.B. / Gasiorowska, O. / Sroka, P. / Gorna, M.W. / Ginalski, K. / Wozniak, K. / Minor, W.
History
DepositionMar 20, 2017Deposition site: RCSB / Processing site: RCSB
Revision 1.0Mar 29, 2017Provider: repository / Type: Initial release
Revision 1.1Sep 13, 2017Group: Author supporting evidence / Refinement description / Category: pdbx_audit_support / software / Item: _pdbx_audit_support.funding_organization
Revision 1.2May 16, 2018Group: Data collection / Database references / Structure summary
Category: citation / citation_author / entity
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 / _entity.pdbx_ec
Revision 1.3Nov 27, 2019Group: Author supporting evidence / Category: pdbx_audit_support
Revision 2.0Jul 1, 2020Group: Atomic model / Structure summary / Category: atom_site / chem_comp
Item: _atom_site.auth_atom_id / _atom_site.label_atom_id ..._atom_site.auth_atom_id / _atom_site.label_atom_id / _chem_comp.pdbx_synonyms / _chem_comp.type
Revision 2.1Oct 4, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _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_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.ptnr3_symmetry / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _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.ptnr1_symmetry / _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_symmetry / _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: NADPH-dependent glyoxylate/hydroxypyruvate reductase
B: NADPH-dependent glyoxylate/hydroxypyruvate reductase
C: NADPH-dependent glyoxylate/hydroxypyruvate reductase
D: NADPH-dependent glyoxylate/hydroxypyruvate reductase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)142,28535
Polymers137,4344
Non-polymers4,85131
Water24,2481346
1
A: NADPH-dependent glyoxylate/hydroxypyruvate reductase
B: NADPH-dependent glyoxylate/hydroxypyruvate reductase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)71,27019
Polymers68,7172
Non-polymers2,55317
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area9170 Å2
ΔGint-117 kcal/mol
Surface area24070 Å2
MethodPISA
2
C: NADPH-dependent glyoxylate/hydroxypyruvate reductase
D: NADPH-dependent glyoxylate/hydroxypyruvate reductase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)71,01616
Polymers68,7172
Non-polymers2,29914
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area8570 Å2
ΔGint-105 kcal/mol
Surface area23870 Å2
MethodPISA
Unit cell
Length a, b, c (Å)175.902, 175.902, 135.336
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number146
Space group name H-MH3
Components on special symmetry positions
IDModelComponents
11C-811-

HOH

Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21B
12A
22C
13A
23D
14B
24C
15B
25D
16C
26D

NCS domain segments:

Component-ID: _ / Beg auth comp-ID: ARG / Beg label comp-ID: ARG / Refine code: _

Dom-IDEns-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11ALAALAAA3 - 3194 - 320
21ALAALABB3 - 3194 - 320
12ALAALAAA3 - 3194 - 320
22ALAALACC3 - 3194 - 320
13ALAALAAA3 - 3194 - 320
23ALAALADD3 - 3194 - 320
14ILEILEBB3 - 3204 - 321
24ILEILECC3 - 3204 - 321
15ILEILEBB3 - 3204 - 321
25ILEILEDD3 - 3204 - 321
16ILEILECC3 - 3204 - 321
26ILEILEDD3 - 3204 - 321

NCS ensembles :
ID
1
2
3
4
5
6

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Components

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Protein / Sugars , 2 types, 8 molecules ABCD

#1: Protein
NADPH-dependent glyoxylate/hydroxypyruvate reductase / 2-hydroxyacid dehydrogenase


Mass: 34358.496 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Rhizobium meliloti (strain 1021) (bacteria)
Strain: 1021 / Gene: SMc04462 / Plasmid: pSGC-His / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) RIL / References: UniProt: Q92LZ4, hydroxypyruvate reductase
#3: Sugar
ChemComp-8YV / 2-keto-D-gluconic acid / (3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid / D-fructosonic acid


Type: D-saccharide / Mass: 194.139 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C6H10O7

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Non-polymers , 8 types, 1373 molecules

#2: Chemical
ChemComp-NAP / NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE


Mass: 743.405 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C21H28N7O17P3
#4: Chemical
ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Na
#5: Chemical ChemComp-PEG / DI(HYDROXYETHYL)ETHER


Mass: 106.120 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C4H10O3
#6: Chemical
ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: Cl
#7: Chemical ChemComp-PG4 / TETRAETHYLENE GLYCOL


Mass: 194.226 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C8H18O5 / Comment: precipitant*YM
#8: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: Mg
#9: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C3H8O3
#10: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 1346 / 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: 2.93 Å3/Da / Density % sol: 58.05 %
Crystal growTemperature: 289 K / Method: vapor diffusion, sitting drop / pH: 5.9
Details: 0.2 uL 13 mg/mL protein in 20 mM HEPES, pH 7.5, 150 mM sodium chloride, 10% glycerol, 0.1% sodium azide, 0.5 mM TCEP, 5 mM NADP, 100 mM 2-keto-D-gluconic acid hemicalcium salt + 0.2 uL TOP96 ...Details: 0.2 uL 13 mg/mL protein in 20 mM HEPES, pH 7.5, 150 mM sodium chloride, 10% glycerol, 0.1% sodium azide, 0.5 mM TCEP, 5 mM NADP, 100 mM 2-keto-D-gluconic acid hemicalcium salt + 0.2 uL TOP96 condition #24 (0.2 M magnesium formate, pH 5.9, 20% w/v PEG3350), equilibrated against 1.5 M sodium chloride in a 96-well, 3-drop crystallization plate (Swissci), incubated with 1/20 v/v 1 mg/mL rTEV at 289 K for 3 hours prior to crystallization

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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 225 mm CCD / Detector: CCD / Date: Nov 11, 2016 / Details: Beryllium Lenses
RadiationMonochromator: diamond(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97872 Å / Relative weight: 1
Reflection twin
Crystal-IDIDOperatorDomain-IDFraction
11H, K, L10.247
11K, H, -L20.753
ReflectionResolution: 1.75→50 Å / Num. obs: 156897 / % possible obs: 99.6 % / Observed criterion σ(I): -3 / Redundancy: 4.9 % / Biso Wilson estimate: 28.1 Å2 / Rmerge(I) obs: 0.113 / Rpim(I) all: 0.06 / Rrim(I) all: 0.129 / Rsym value: 0.113 / Χ2: 2.082 / Net I/av σ(I): 19.8 / Net I/σ(I): 8.6
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. unique allNum. unique obsCC1/2Rpim(I) allRrim(I) allRsym valueΧ2% possible all
1.75-1.784.90.8781.8787678760.6070.4470.9870.8780.846100
1.78-1.814.90.7520.6870.3810.8440.915100
1.81-1.8550.640.7530.3230.7180.975100
1.85-1.8950.5210.8180.2630.5841.115100
1.89-1.934.90.4770.8490.2420.5351.462100
1.93-1.9750.3720.8990.1870.4171.428100
1.97-2.0250.3140.9150.1570.3511.508100
2.02-2.0750.2860.9370.1440.3211.85499.9
2.07-2.145.10.2370.9520.1180.2651.98100
2.14-2.25.10.2040.9640.1020.2282.307100
2.2-2.2850.2160.9550.1090.2422.65799.9
2.28-2.385.10.1720.9760.0870.1932.344100
2.38-2.4850.1570.9770.0790.1762.55199.9
2.48-2.6150.1430.9810.0730.1612.81799.9
2.61-2.784.90.130.9780.0670.1462.77899.7
2.78-2.994.80.1150.9830.060.132.96199.6
2.99-3.294.60.1020.9860.0550.1163.08599.1
3.29-3.774.40.0910.9880.050.1043.16998.2
3.77-4.754.20.0810.990.0450.0932.97197.4
4.75-504.30.0730.990.0410.0842.49497.3

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Processing

Software
NameVersionClassification
MD2data collection
HKL-3000data reduction
HKL-3000data scaling
MOLREPphasing
REFMAC5.8.0158refinement
PDB_EXTRACT3.22data extraction
DENZOdata reduction
SCALEPACKdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB entry 5J23

5j23


Resolution: 1.75→45.11 Å / Cor.coef. Fo:Fc: 0.977 / Cor.coef. Fo:Fc free: 0.972 / SU B: 2.123 / SU ML: 0.041 / SU R Cruickshank DPI: 0.0178 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.018 / ESU R Free: 0.017 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.1666 7836 5 %RANDOM
Rwork0.1439 ---
obs0.1451 148739 99.42 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å
Displacement parametersBiso max: 119.6 Å2 / Biso mean: 32.918 Å2 / Biso min: 13.7 Å2
Baniso -1Baniso -2Baniso -3
1-1.05 Å20 Å20 Å2
2--1.05 Å20 Å2
3----2.09 Å2
Refinement stepCycle: final / Resolution: 1.75→45.11 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms9468 0 301 1350 11119
Biso mean--32.7 41.28 -
Num. residues----1273
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0110.01910042
X-RAY DIFFRACTIONr_bond_other_d0.0030.029730
X-RAY DIFFRACTIONr_angle_refined_deg1.5022.00513665
X-RAY DIFFRACTIONr_angle_other_deg0.999322219
X-RAY DIFFRACTIONr_dihedral_angle_1_deg5.78651283
X-RAY DIFFRACTIONr_dihedral_angle_2_deg34.50622.371367
X-RAY DIFFRACTIONr_dihedral_angle_3_deg11.1151512
X-RAY DIFFRACTIONr_dihedral_angle_4_deg20.03915100
X-RAY DIFFRACTIONr_chiral_restr0.0850.21668
X-RAY DIFFRACTIONr_gen_planes_refined0.0070.02110996
X-RAY DIFFRACTIONr_gen_planes_other0.0020.022016
Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION / Type: interatomic distance / Weight position: 0.05

Ens-IDDom-IDAuth asym-IDNumberRms dev position (Å)
11A198780.05
12B198780.05
21A198980.05
22C198980.05
31A201540.03
32D201540.03
41B199360.03
42C199360.03
51B198240.05
52D198240.05
61C199280.05
62D199280.05
LS refinement shellResolution: 1.75→1.795 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.232 652 -
Rwork0.178 10855 -
all-11507 -
obs--98.78 %
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)
13.1342-0.33291.31351.4935-0.21372.4795-0.00030.05680.0838-0.01170.0183-0.1132-0.04420.1207-0.0180.0625-0.01260.05150.0720.00120.118370.27881.99820.854
224.1058-5.6129-1.34996.5940.95653.58-0.0966-0.66760.13850.56060.0176-0.21890.11760.24930.07910.2127-0.0547-0.00770.1381-0.01390.203474.49690.2730.347
30.2477-0.1897-0.04041.61040.49480.30560.0285-0.01060.01850.1259-0.00880.030.0349-0.0197-0.01980.0503-0.00760.01890.0724-0.00440.090862.84757.69521.977
43.1854-0.0901-1.06516.98761.93354.42280.02280.18080.0769-0.0487-0.10820.7733-0.1143-0.59930.08540.1603-0.0130.06820.23940.00650.212846.6251.38932.282
50.50380.0866-0.15622.0169-0.19160.95020.0083-0.1475-0.05040.3870.0103-0.16310.11610.0545-0.01860.1352-0.0031-0.01570.0689-0.01750.122566.13450.8128.761
61.659-0.3293-1.07682.23820.74072.44180.08880.01230.1699-0.0088-0.04580.1576-0.1879-0.1062-0.04290.0509-0.00120.03460.0478-0.0140.133654.84781.60625.809
72.75760.4120.67914.72952.87954.2190.0378-0.0792-0.23490.0897-0.0144-0.29170.09640.2163-0.02350.08290.0339-0.04610.11760.02030.173664.99514.2043.121
84.46651.1539-1.10913.5597-0.4313.8580.0118-0.0434-0.13370.0037-0.05-0.1730.09360.1570.03820.0940.0169-0.0570.09050.02440.134264.72214.2296.977
90.2880.22790.13631.51110.4350.45580.03740.0309-0.0478-0.1250.0111-0.0845-0.00060.0142-0.04840.0467-0.0043-0.0070.06620.00050.107662.92735.5842.121
101.0030.06951.07260.57880.44453.97650.0391-0.05180.0173-0.1089-0.0760.2713-0.0826-0.51290.03690.13970.0219-0.05710.1742-0.01870.309846.5148.228-1.254
110.53160.13950.12451.6279-0.08820.78840.02770.13120.0465-0.2713-0.0053-0.0823-0.08960.0824-0.02250.0898-0.0060.0050.0865-0.01820.103463.92343.776-2.713
121.6077-0.27181.04941.4497-0.30853.12590.0638-0.0492-0.2122-0.0467-0.05720.22870.2479-0.1859-0.00670.0755-0.0161-0.03820.0849-0.01860.1548.72315.064-2.29
133.9071-1.86862.46846.4468-2.79614.7174-0.0572-0.15590.19380.18430.05750.2142-0.1731-0.3142-0.00040.0987-0.03450.04120.15230.03370.1716-18.94338.34531.655
141.7342-0.0251-0.06351.8764-0.24771.79840.03180.1961-0.0686-0.0313-0.00960.29580.1721-0.3111-0.02220.1117-0.0342-0.00650.16990.07390.231-18.01538.16324.509
151.221-1.36380.52582.0108-0.94990.59920.04890.1249-0.0123-0.0178-0.00350.06040.02440.0107-0.04540.1076-0.0111-0.02520.10330.02090.1493.9326.3632.843
161.1098-0.73820.1691.1629-0.46650.940.05470.26070.2196-0.0539-0.0797-0.1493-0.11740.11030.02510.1287-0.0359-0.0130.16910.04820.198515.9828.89526.452
171.3548-0.69720.11331.0175-0.19980.48670.08940.2792-0.0805-0.0987-0.0611-0.01490.1030.0265-0.02820.1289-0.029-0.02820.14520.03110.14162.66825.49825.718
182.9043-0.49020.5442.6301-1.94423.7926-0.0470.11240.2550.1186-0.04120.0554-0.2035-0.20360.08830.1189-0.01590.00110.14490.07170.1903-9.62851.98422.089
194.8059-0.5392-0.85381.32970.02972.37580.00610.06-0.2313-0.01960.0859-0.02480.23780.0559-0.09210.19990.0058-0.05160.076-0.05990.208437.8572.14344.463
205.32072.9305-2.70512.6818-0.40062.5515-0.1532-0.0738-0.46060.0983-0.0277-0.25430.2894-0.04240.18090.32130.0141-0.0710.15340.02230.309834.372-6.51654.749
211.7829-0.4470.52590.3487-0.17610.3912-0.0489-0.09-0.05330.09480.0914-0.01340.0169-0.0256-0.04240.1565-0.0047-0.04470.0648-0.01360.14819.0316.69248.748
221.27690.10941.37281.2115-1.25955.4427-0.2519-0.07620.46790.23310.0149-0.1767-0.61410.27980.23710.3290.0304-0.15480.1749-0.11230.484720.15635.14352.324
231.1472-0.50760.04521.38870.00980.6992-0.2047-0.46490.10360.34520.17950.0278-0.1471-0.13760.02510.22940.0783-0.03560.2183-0.03560.171310.53923.24559.089
242.6079-0.31720.8510.63630.03310.9883-0.0528-0.1115-0.11010.11840.1037-0.01550.0108-0.0108-0.05080.15080.0183-0.04430.0293-0.01870.149128.32612.57250.299
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A2 - 37
2X-RAY DIFFRACTION2A38 - 43
3X-RAY DIFFRACTION3A44 - 167
4X-RAY DIFFRACTION4A168 - 186
5X-RAY DIFFRACTION5A187 - 289
6X-RAY DIFFRACTION6A290 - 320
7X-RAY DIFFRACTION7B3 - 13
8X-RAY DIFFRACTION8B14 - 31
9X-RAY DIFFRACTION9B32 - 158
10X-RAY DIFFRACTION10B159 - 187
11X-RAY DIFFRACTION11B188 - 296
12X-RAY DIFFRACTION12B297 - 320
13X-RAY DIFFRACTION13C3 - 15
14X-RAY DIFFRACTION14C16 - 80
15X-RAY DIFFRACTION15C81 - 126
16X-RAY DIFFRACTION16C127 - 213
17X-RAY DIFFRACTION17C214 - 303
18X-RAY DIFFRACTION18C304 - 320
19X-RAY DIFFRACTION19D3 - 25
20X-RAY DIFFRACTION20D26 - 43
21X-RAY DIFFRACTION21D44 - 158
22X-RAY DIFFRACTION22D159 - 182
23X-RAY DIFFRACTION23D183 - 256
24X-RAY DIFFRACTION24D257 - 320

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