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- PDB-3odm: Archaeal-type phosphoenolpyruvate carboxylase -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 3odm
TitleArchaeal-type phosphoenolpyruvate carboxylase
ComponentsPhosphoenolpyruvate carboxylase
KeywordsLYASE / beta-barrel
Function / homology
Function and homology information


phosphoenolpyruvate carboxylase / phosphoenolpyruvate carboxylase activity / carbon fixation / oxaloacetate metabolic process / tricarboxylic acid cycle / magnesium ion binding
Similarity search - Function
Phosphoenolpyruvate carboxylase, archaeal-type / Phosphoenolpyruvate carboxylase / Pyruvate/Phosphoenolpyruvate kinase-like domain superfamily
Similarity search - Domain/homology
GOLD (I) CYANIDE ION / MALONATE ION / Phosphoenolpyruvate carboxylase
Similarity search - Component
Biological speciesClostridium perfringens (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.95 Å
AuthorsDunten, P.W.
Citation
Journal: Proteins / Year: 2011
Title: Structure of an archaeal-type phosphoenolpyruvate carboxylase sensitive to inhibition by aspartate.
Authors: Dharmarajan, L. / Kraszewski, J.L. / Mukhopadhyay, B. / Dunten, P.W.
#1: Journal: Acta Crystallogr.,Sect.F / Year: 2009
Title: Expression, purification and crystallization of an archaeal-type phosphoenolpyruvate carboxylase
Authors: Dharmarahan, L. / Kraszewski, J.L. / Mukhopadhyay, B. / Dunten, P.W.
History
DepositionAug 11, 2010Deposition site: RCSB / Processing site: RCSB
Revision 1.0Feb 2, 2011Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Feb 21, 2024Group: Advisory / Data collection ...Advisory / Data collection / Database references / Derived calculations
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_struct_conn_angle / pdbx_unobs_or_zero_occ_atoms / struct_conn / struct_ref_seq_dif / struct_site
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.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_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_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _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.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_label_seq_id / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Phosphoenolpyruvate carboxylase
B: Phosphoenolpyruvate carboxylase
C: Phosphoenolpyruvate carboxylase
D: Phosphoenolpyruvate carboxylase
E: Phosphoenolpyruvate carboxylase
F: Phosphoenolpyruvate carboxylase
G: Phosphoenolpyruvate carboxylase
H: Phosphoenolpyruvate carboxylase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)516,27849
Polymers506,8048
Non-polymers9,47441
Water3,603200
1
A: Phosphoenolpyruvate carboxylase
C: Phosphoenolpyruvate carboxylase
D: Phosphoenolpyruvate carboxylase
E: Phosphoenolpyruvate carboxylase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)258,04325
Polymers253,4024
Non-polymers4,64121
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7340 Å2
ΔGint-48 kcal/mol
Surface area72810 Å2
MethodPISA
2
B: Phosphoenolpyruvate carboxylase
F: Phosphoenolpyruvate carboxylase
G: Phosphoenolpyruvate carboxylase
H: Phosphoenolpyruvate carboxylase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)258,23524
Polymers253,4024
Non-polymers4,83320
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7380 Å2
ΔGint-49 kcal/mol
Surface area73150 Å2
MethodPISA
3
A: Phosphoenolpyruvate carboxylase
E: Phosphoenolpyruvate carboxylase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)128,89712
Polymers126,7012
Non-polymers2,19610
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2320 Å2
ΔGint-19 kcal/mol
Surface area37560 Å2
MethodPISA
4
B: Phosphoenolpyruvate carboxylase
H: Phosphoenolpyruvate carboxylase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)129,29313
Polymers126,7012
Non-polymers2,59211
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2390 Å2
ΔGint-18 kcal/mol
Surface area37870 Å2
MethodPISA
5
C: Phosphoenolpyruvate carboxylase
D: Phosphoenolpyruvate carboxylase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)129,14613
Polymers126,7012
Non-polymers2,44511
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2390 Å2
ΔGint-17 kcal/mol
Surface area37860 Å2
MethodPISA
6
F: Phosphoenolpyruvate carboxylase
G: Phosphoenolpyruvate carboxylase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)128,94211
Polymers126,7012
Non-polymers2,2419
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2420 Å2
ΔGint-18 kcal/mol
Surface area37850 Å2
MethodPISA
Unit cell
Length a, b, c (Å)121.420, 161.580, 279.980
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21B
31C
41D
51E
61F
71G
81H
12A
22B
32C
42D
52E
62F
72G
82H

NCS ensembles :
ID
1
2

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Components

#1: Protein
Phosphoenolpyruvate carboxylase / / PEPCase / PEPC


Mass: 63350.449 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Details: pET19b vector / Source: (gene. exp.) Clostridium perfringens (bacteria) / Gene: CPE1094, ppcA / Plasmid: pJLK15-19b / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)(pRIL)
References: UniProt: Q8XLE8, phosphoenolpyruvate carboxylase
#2: Chemical...
ChemComp-AUC / GOLD (I) CYANIDE ION


Mass: 249.001 Da / Num. of mol.: 36 / Source method: obtained synthetically / Formula: C2AuN2
#3: Chemical
ChemComp-MLI / MALONATE ION / Malonic acid


Mass: 102.046 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C3H2O4
#4: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 200 / 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: 2.71 Å3/Da / Density % sol: 54.61 %
Crystal growTemperature: 295 K / Method: vapor diffusion, hanging drop / pH: 7
Details: 1.5M sodium malonate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SSRL / Beamline: BL11-1 / Wavelength: 1.03948 Å
DetectorType: MARMOSAIC 325 mm CCD / Detector: CCD / Date: Jun 28, 2009
RadiationMonochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.03948 Å / Relative weight: 1
ReflectionResolution: 2.95→56.83 Å / Num. obs: 116208 / % possible obs: 99.9 % / Redundancy: 14.3 % / Rmerge(I) obs: 0.133 / Net I/σ(I): 17.4
Reflection shellResolution: 2.95→3.03 Å / Redundancy: 9.6 % / Mean I/σ(I) obs: 2 / Num. unique all: 8359 / % possible all: 98.6

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Processing

Software
NameVersionClassification
Blu-Icedata collection
SHELXmodel building
REFMAC5.5.0110refinement
MOSFLMdata reduction
SCALAdata scaling
SHELXphasing
RefinementMethod to determine structure: SAD / Resolution: 2.95→56.84 Å / Cor.coef. Fo:Fc: 0.957 / Cor.coef. Fo:Fc free: 0.903 / SU B: 34.934 / SU ML: 0.294 / Cross valid method: THROUGHOUT / ESU R Free: 0.357 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.22316 1135 1 %THIN SHELLS
Rwork0.17777 ---
obs0.17833 116208 100 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK
Displacement parametersBiso mean: 66.524 Å2
Baniso -1Baniso -2Baniso -3
1-2.45 Å20 Å20 Å2
2---1.66 Å20 Å2
3----0.78 Å2
Refinement stepCycle: LAST / Resolution: 2.95→56.84 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms33256 0 107 200 33563
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0120.02233866
X-RAY DIFFRACTIONr_angle_refined_deg1.3371.98245628
X-RAY DIFFRACTIONr_dihedral_angle_1_deg5.79454200
X-RAY DIFFRACTIONr_dihedral_angle_2_deg39.89425.1111491
X-RAY DIFFRACTIONr_dihedral_angle_3_deg19.247156474
X-RAY DIFFRACTIONr_dihedral_angle_4_deg19.79515176
X-RAY DIFFRACTIONr_chiral_restr0.0850.25186
X-RAY DIFFRACTIONr_gen_planes_refined0.0060.02124912
X-RAY DIFFRACTIONr_mcbond_it0.3461.520953
X-RAY DIFFRACTIONr_mcangle_it0.71233988
X-RAY DIFFRACTIONr_scbond_it1.203312913
X-RAY DIFFRACTIONr_scangle_it2.1624.511640
Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION

Ens-IDDom-IDAuth asym-IDNumberTypeRms dev position (Å)Weight position
11A1976tight positional0.330.05
11B1976tight positional0.470.05
11C1976tight positional0.310.05
11D1976tight positional0.230.05
11E1976tight positional0.270.05
11F1976tight positional0.330.05
11G1976tight positional0.280.05
11H1976tight positional0.220.05
11A1909medium positional0.580.5
11B1909medium positional0.660.5
11C1909medium positional0.530.5
11D1909medium positional0.520.5
11E1909medium positional0.520.5
11F1909medium positional0.580.5
11G1909medium positional0.540.5
11H1909medium positional0.50.5
22A185loose positional0.595
22B185loose positional0.675
22C185loose positional0.785
22D185loose positional0.875
22E185loose positional0.855
22F185loose positional0.785
22G185loose positional0.75
22H185loose positional0.685
11A1976tight thermal1.725
11B1976tight thermal1.385
11C1976tight thermal1.245
11D1976tight thermal1.485
11E1976tight thermal1.555
11F1976tight thermal1.235
11G1976tight thermal1.965
11H1976tight thermal1.515
11A1909medium thermal2.175
11B1909medium thermal1.725
11C1909medium thermal1.645
11D1909medium thermal1.815
11E1909medium thermal1.865
11F1909medium thermal1.525
11G1909medium thermal2.175
11H1909medium thermal1.895
22A185loose thermal3.0914
22B185loose thermal2.814
22C185loose thermal3.6914
22D185loose thermal1.9114
22E185loose thermal1.414
22F185loose thermal3.714
22G185loose thermal1.8214
22H185loose thermal7.3714
LS refinement shellResolution: 2.95→3.027 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rwork0.297 8334 -
Rfree-0 -
obs--100 %
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
14.06411.1203-1.43852.2870.22752.23160.01190.01150.2723-0.0951-0.0485-0.0765-0.1532-0.20450.03660.03670.01260.0070.0244-0.01950.058310.918933.528473.4101
22.54570.0279-0.57042.63660.50852.02140.0501-0.0007-0.2084-0.1292-0.1190.27490.047-0.26190.06890.0688-0.0511-0.01780.0737-0.00940.04683.991619.114368.3066
32.21290.13250.34011.8611-0.0941.91130.11740.48860.1845-0.2480.0088-0.0864-0.0280.069-0.12620.07370.00550.06060.12630.01760.068323.268624.173761.3523
42.7384-0.9740.10592.41870.86151.44520.02370.1513-0.101-0.07730.0402-0.02380.06440.1339-0.06390.0833-0.02960.04690.0373-0.0350.039428.379320.541966.6219
51.82930.34510.78387.46714.59383.61240.1216-0.4024-0.38250.68370.1412-0.2510.63580.2155-0.26280.38380.00470.05930.23260.01460.329930.81981.717971.7164
628.5858-43.8966-2.259968.1066.322711.83890.66420.5844-1.6135-1.0362-1.03192.5357-0.1933-0.62220.36760.15620.0014-0.0180.043-0.04750.099227.020922.739278.6705
72.24190.8380.58372.36291.84382.46780.17040.2299-0.0733-0.09790.1806-0.38120.03430.4101-0.3510.08650.02840.07680.1398-0.07070.150943.676819.719566.7048
81.58120.16991.98452.04530.304810.892-0.0896-0.3220.02260.544-0.0558-0.1584-0.6456-0.35510.14550.2326-0.01950.03660.087-0.06790.221640.101130.804487.1368
91.7512-0.23311.13471.14760.64493.7914-0.12980.19130.08360.01220.1697-0.1528-0.11520.1799-0.03980.1287-0.0164-0.04430.06530.00570.092686.337275.57165.7676
103.7834-0.032-0.31451.7791-0.02922.76410.03780.00850.0047-0.0864-0.0683-0.4537-0.27530.53610.03060.229-0.0226-0.11250.11820.02670.2839102.668472.3204171.3763
111.4437-0.1702-0.17492.0688-1.00252.0123-0.05870.2348-0.1016-0.1021-0.0829-0.34890.11920.41980.14160.2244-0.05310.00610.2242-0.04870.14796.457270.6122150.3909
122.39350.0286-0.47680.9732-1.15071.6793-0.15120.09430.04430.0202-0.0703-0.2930.04290.35610.22150.2741-0.0896-0.0810.4296-0.09190.1567100.101679.1996145.4727
133.7877-0.9932-1.27390.46630.24312.14350.0053-0.00640.40810.28840.0228-0.22570.09420.075-0.02810.4947-0.0641-0.0250.65140.00990.5855112.126390.3726145.7011
142.5221-0.97290.65992.01060.15122.0599-0.03030.57250.0323-0.4239-0.0464-0.16740.04080.34980.07670.2991-0.13330.01520.37970.03170.15197.228982.7455131.6736
152.6548-1.8813-0.32785.3767-1.03951.0511-0.1696-0.26890.54690.38160.27550.3556-0.4358-0.0382-0.10590.3769-0.1146-0.13610.2838-0.00660.320982.405497.9535141.0876
162.73760.2660.07584.6775-0.69952.0065-0.17040.1769-0.09280.2838-0.0634-0.2094-0.0020.10890.23380.0693-0.0254-0.05110.02080.02240.097755.124766.8861106.1168
174.2762-0.4715-0.03573.4083-0.6132.5735-0.0440.13560.14610.0849-0.02-0.5223-0.07690.42820.0640.1236-0.0643-0.11890.1480.02170.188870.890273.911109.0188
182.76590.95910.48563.30791.43932.3399-0.1279-0.0416-0.41020.38320.1895-0.43680.11910.3145-0.06170.17160.0341-0.12060.07660.0270.217466.578852.4369111.7933
193.353-1.28630.4962.18281.0342.4555-0.21080.153-0.11410.22760.0479-0.47190.06250.39680.16290.0786-0.039-0.050.09760.07760.367267.77948.0226104.8011
205.8962-1.0441-1.02450.55580.4840.4438-0.20690.5263-0.07480.02580.2983-0.1417-0.07230.2748-0.09140.684-0.0529-0.03630.86020.02220.857383.331646.072594.0544
212.64480.0931.26522.0877-0.89382.92340.01320.1388-0.53910.2408-0.0005-0.44590.43570.3657-0.01270.18080.0814-0.02620.0824-0.03870.434266.917733.5574101.2971
222.36550.11750.27031.40632.0627.1811-0.32440.49090.1517-0.20630.0358-0.2155-0.5272-0.5230.28860.0899-0.04570.01230.1934-0.08360.258152.353842.159485.5897
233.5303-0.01361.32451.89530.09021.09250.07380.40230.0037-0.1698-0.1870.02250.02780.11170.11320.0671-0.0299-0.02170.20770.06230.056149.768576.949482.2803
245.582-1.10440.52513.1407-0.2422.9601-0.12630.1130.6771-0.0567-0.0498-0.274-0.24810.2610.17610.0812-0.0755-0.020.20130.14610.210158.340789.37884.3674
252.8469-0.03340.02830.79460.16481.27160.07090.58420.4469-0.1885-0.0193-0.1596-0.18240.0739-0.05160.1273-0.0222-0.02750.23790.17420.21441.58992.868677.3741
262.4389-1.4574-0.24032.82480.10241.1964-0.04690.23560.29620.0307-0.1419-0.274-0.15120.13410.18880.094-0.1057-0.08440.13290.11290.114932.307291.738682.8803
271.5109-1.22070.437312.7086-3.29720.9787-0.3339-0.58480.55060.86750.304-0.1263-0.42340.02490.02990.6454-0.0861-0.15270.6398-0.0810.520430.7417104.887395.8538
282.08080.79360.26922.8295-1.65952.32470.10380.27080.17370.1428-0.07870.3247-0.2548-0.0865-0.0250.06390.0357-0.03260.1211-0.00260.098517.200690.0186.0619
293.45330.7481-2.39592.4336-3.282517.6806-0.1811-0.1986-0.25260.3411-0.0162-0.17580.7703-0.10770.19730.1744-0.0065-0.04510.01710.03250.195724.502972.158797.6297
302.31291.36690.42034.18791.31163.4354-0.0978-0.00160.08690.06930.00280.08460.1161-0.090.09510.0257-0.01050.02190.0072-0.01470.04076.787631.91299.3419
313.18050.0222-0.04763.77711.11313.1037-0.03610.0807-0.1091-0.0846-0.03540.7180.0824-0.44550.07150.0701-0.0630.01820.1037-0.01530.171-9.441725.304399.5454
321.27880.5613-0.4793.8115-0.82081.12350.026-0.08880.11620.43510.03660.45510.0196-0.1546-0.06260.1182-0.00510.08250.1198-0.04740.0951-4.338542.4617111.3873
332.9714-0.0364-0.54612.9246-0.28551.3899-0.06840.01280.20230.25270.06980.35590.0364-0.3409-0.00140.0367-0.02510.04430.117-0.03320.082-5.822449.7951107.4847
3412.5239-0.1826-7.61480.55630.21884.6540.02050.53720.4613-0.20590.12720.5938-0.0179-0.2973-0.14770.48360.082-0.0730.70490.00850.7924-22.357155.673499.571
3565.0958-82.788218.7968105.3162-23.91375.4307-2.9171-3.2938-4.373.3944.24915.6038-0.7418-0.9725-1.3322.5765-0.6537-0.24490.95920.39820.3736-0.636749.74296.7083
363.79081.3026-1.60293.1442-1.12253.67450.0611-0.29610.73720.70890.00590.3109-0.539-0.2355-0.0670.26520.07090.04650.0677-0.07910.234-5.177864.8243110.4589
372.72412.031-0.03693.8333-2.31417.7609-0.34070.4910.4534-0.3028-0.0956-0.0070.11410.49580.43630.0443-0.0522-0.04580.19340.12370.18829.159763.594191.9954
381.8578-0.30350.06822.8859-1.28012.5404-0.0407-0.0446-0.0009-0.1186-0.00270.1396-0.0793-0.02220.04340.2580.0825-0.14640.1398-0.01020.096639.63881.2537136.3248
393.47090.3714-0.03891.7979-0.27971.90940.0348-0.09190.16620.0105-0.03230.3997-0.0883-0.3993-0.00250.30430.0901-0.1560.2089-0.04410.176825.280184.9394126.3531
401.78830.45050.44920.82530.24592.98050.0092-0.1111-0.3061-0.137-0.04810.25630.2197-0.56090.03880.2911-0.0253-0.1640.21980.01460.256426.962271.2704141.9802
411.77950.435-0.60550.79190.92442.7011-0.08270.03480.1183-0.0566-0.05230.37920.0396-0.59580.13490.30480.128-0.17350.39390.12670.404421.278678.8267152.9023
427.70623.7104-0.4682.2239-0.15840.0623-0.09050.0510.465-0.44630.02470.58590.0054-0.06940.06590.6232-0.0036-0.07530.74320.040.780610.052285.7358156.44
433.06780.67451.52631.87490.01442.3430.0974-0.3736-0.30470.2046-0.06790.34250.2649-0.5768-0.02940.25540.0062-0.03150.37690.02720.234125.84573.3922165.1436
442.05311.5643-0.7425.85282.80883.3153-0.0847-0.00160.4025-0.6080.2208-0.0389-0.68820.3225-0.13610.37810.0414-0.1340.22820.03210.218240.310991.5607164.0846
453.39691.04531.72741.78470.09212.2710.0865-0.13590.19390.0107-0.01230.1859-0.23950.019-0.07420.46830.1026-0.05590.14070.02880.119540.0225109.7173133.0392
462.51220.66420.16632.0145-0.09054.778-0.02270.21930.1576-0.00760.02340.3334-0.1309-0.4094-0.00060.44490.1903-0.1260.1470.00250.231132.0519112.4976120.4744
471.31120.4132-0.03011.1127-0.63810.91790.04230.16830.34380.0941-0.07450.0575-0.35820.03380.03220.57710.0616-0.08370.13240.02040.249148.2248121.1553121.177
480.877-0.6423-0.45922.3064-0.66011.93240.1060.21840.3144-0.2219-0.0425-0.2434-0.04940.0123-0.06340.3982-0.0515-0.1530.25410.03190.26757.9498115.6595117.4706
490.171-0.37560.6891.6981-2.9766.5133-0.00010.2133-0.0336-0.4482-0.1651-0.19190.7519-0.40180.16530.7661-0.0885-0.06390.83620.0030.519658.8343109.3758103.722
501.26050.16450.2613.2469-0.63670.88070.07490.24780.3831-0.1015-0.1729-0.3611-0.19180.51750.09810.5387-0.0647-0.02140.36280.11540.316872.9647116.2141118.2041
511.7621-1.958-0.90047.3561.21982.3672-0.01440.0006-0.21390.1793-0.0810.12830.109-0.10010.09540.3921-0.0445-0.17050.24250.0340.138769.647895.8632129.9209
523.2949-1.27190.07041.90460.17341.70840.14030.190.0871-0.08420.0165-0.1334-0.18030.0542-0.15680.2912-0.072-0.03080.03830.010.03282.484398.5096177.7386
532.9236-0.6546-0.06412.2202-0.06463.1309-0.031-0.4709-0.04530.21950.0774-0.30470.10270.435-0.04640.3515-0.0659-0.12040.16930.00230.109690.170395.443193.2606
542.87170.8316-1.10080.99130.38111.07880.2207-0.11760.1749-0.0795-0.042-0.0819-0.24690.0357-0.17870.3671-0.01-0.010.007-0.01350.073169.6346103.6016191.4634
553.03040.9108-1.54022.56330.3383.56940.0097-0.13430.09790.1334-0.00740.1049-0.00910.2369-0.00220.16540.0374-0.09010.026-0.02540.062564.078496.0236193.5728
560.1687-0.05970.51620.35681.09337.1405-0.03930.0074-0.06780.20850.257-0.09190.98171.1125-0.21770.67040.11130.04860.2376-0.00510.365763.772783.8783201.2997
571.3935-0.32580.93911.73341.13443.43320.1154-0.04430.2293-0.0285-0.20470.2877-0.2657-0.55450.08930.25570.07090.03660.10130.01820.192848.772795.2389190.8243
580.40981.2843-0.50359.65741.80434.2422-0.08550.194-0.1648-1.20570.2192-0.416-0.1751-0.0486-0.13370.23380.0796-0.07720.2859-0.1280.235355.728984.4844171.765
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A1 - 102
2X-RAY DIFFRACTION2A103 - 202
3X-RAY DIFFRACTION3A203 - 280
4X-RAY DIFFRACTION4A281 - 346
5X-RAY DIFFRACTION5A359 - 388
6X-RAY DIFFRACTION6A389 - 393
7X-RAY DIFFRACTION7A394 - 490
8X-RAY DIFFRACTION8A491 - 537
9X-RAY DIFFRACTION9B1 - 106
10X-RAY DIFFRACTION10B107 - 191
11X-RAY DIFFRACTION11B192 - 286
12X-RAY DIFFRACTION12B287 - 346
13X-RAY DIFFRACTION13B355 - 390
14X-RAY DIFFRACTION14B391 - 490
15X-RAY DIFFRACTION15B491 - 537
16X-RAY DIFFRACTION16C1 - 102
17X-RAY DIFFRACTION17C103 - 193
18X-RAY DIFFRACTION18C194 - 280
19X-RAY DIFFRACTION19C281 - 348
20X-RAY DIFFRACTION20C356 - 389
21X-RAY DIFFRACTION21C390 - 490
22X-RAY DIFFRACTION22C491 - 537
23X-RAY DIFFRACTION23D1 - 102
24X-RAY DIFFRACTION24D103 - 177
25X-RAY DIFFRACTION25D178 - 280
26X-RAY DIFFRACTION26D281 - 346
27X-RAY DIFFRACTION27D358 - 390
28X-RAY DIFFRACTION28D391 - 506
29X-RAY DIFFRACTION29D507 - 537
30X-RAY DIFFRACTION30E1 - 106
31X-RAY DIFFRACTION31E107 - 191
32X-RAY DIFFRACTION32E192 - 280
33X-RAY DIFFRACTION33E281 - 346
34X-RAY DIFFRACTION34E360 - 389
35X-RAY DIFFRACTION35E390 - 393
36X-RAY DIFFRACTION36E394 - 490
37X-RAY DIFFRACTION37E491 - 537
38X-RAY DIFFRACTION38F1 - 56
39X-RAY DIFFRACTION39F57 - 188
40X-RAY DIFFRACTION40F189 - 292
41X-RAY DIFFRACTION41F293 - 346
42X-RAY DIFFRACTION42F355 - 390
43X-RAY DIFFRACTION43F391 - 490
44X-RAY DIFFRACTION44F491 - 537
45X-RAY DIFFRACTION45G1 - 106
46X-RAY DIFFRACTION46G107 - 175
47X-RAY DIFFRACTION47G176 - 286
48X-RAY DIFFRACTION48G287 - 346
49X-RAY DIFFRACTION49G357 - 393
50X-RAY DIFFRACTION50G394 - 491
51X-RAY DIFFRACTION51G492 - 537
52X-RAY DIFFRACTION52H1 - 106
53X-RAY DIFFRACTION53H107 - 195
54X-RAY DIFFRACTION54H196 - 285
55X-RAY DIFFRACTION55H286 - 346
56X-RAY DIFFRACTION56H354 - 393
57X-RAY DIFFRACTION57H394 - 504
58X-RAY DIFFRACTION58H505 - 537

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