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- PDB-3ro6: Crystal structure of Dipeptide Epimerase from Methylococcus capsu... -

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Basic information

Entry
Database: PDB / ID: 3ro6
TitleCrystal structure of Dipeptide Epimerase from Methylococcus capsulatus complexed with Mg ion
ComponentsPutative chloromuconate cycloisomerase
KeywordsISOMERASE / TIM barrel
Function / homology
Function and homology information


racemase and epimerase activity, acting on amino acids and derivatives / racemase and epimerase activity / Isomerases; Racemases and epimerases; Acting on amino acids and derivatives / amino acid catabolic process / peptide metabolic process / magnesium ion binding
Similarity search - Function
Dipeptide epimerase / Mandelate racemase / muconate lactonizing enzyme family signature 2. / Mandelate racemase/muconate lactonizing enzyme, conserved site / Mandelate racemase/muconate lactonizing enzyme, N-terminal domain / Mandelate racemase / muconate lactonizing enzyme, N-terminal domain / Mandelate racemase/muconate lactonizing enzyme, C-terminal / Mandelate racemase / muconate lactonizing enzyme, C-terminal domain / Enolase C-terminal domain-like / Enolase C-terminal domain-like / Enolase-like C-terminal domain ...Dipeptide epimerase / Mandelate racemase / muconate lactonizing enzyme family signature 2. / Mandelate racemase/muconate lactonizing enzyme, conserved site / Mandelate racemase/muconate lactonizing enzyme, N-terminal domain / Mandelate racemase / muconate lactonizing enzyme, N-terminal domain / Mandelate racemase/muconate lactonizing enzyme, C-terminal / Mandelate racemase / muconate lactonizing enzyme, C-terminal domain / Enolase C-terminal domain-like / Enolase C-terminal domain-like / Enolase-like C-terminal domain / Enolase-like, N-terminal domain / Enolase-like, N-terminal / Enolase-like, C-terminal domain superfamily / Enolase-like; domain 1 / TIM Barrel / Alpha-Beta Barrel / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
L-Lys-D/L-Arg epimerase
Similarity search - Component
Biological speciesMethylococcus capsulatus (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.2 Å
AuthorsLukk, T. / Sakai, A. / Song, L. / Gerlt, J.A. / Nair, S.K.
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2012
Title: Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Authors: Lukk, T. / Sakai, A. / Kalyanaraman, C. / Brown, S.D. / Imker, H.J. / Song, L. / Fedorov, A.A. / Fedorov, E.V. / Toro, R. / Hillerich, B. / Seidel, R. / Patskovsky, Y. / Vetting, M.W. / ...Authors: Lukk, T. / Sakai, A. / Kalyanaraman, C. / Brown, S.D. / Imker, H.J. / Song, L. / Fedorov, A.A. / Fedorov, E.V. / Toro, R. / Hillerich, B. / Seidel, R. / Patskovsky, Y. / Vetting, M.W. / Nair, S.K. / Babbitt, P.C. / Almo, S.C. / Gerlt, J.A. / Jacobson, M.P.
History
DepositionApr 25, 2011Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 11, 2011Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Feb 22, 2012Group: Database references
Revision 1.3Mar 14, 2012Group: Database references
Revision 1.4Mar 21, 2012Group: Database references
Revision 1.5Mar 28, 2012Group: Database references
Revision 1.6Oct 11, 2017Group: Data collection / Category: reflns_shell / Item: _reflns_shell.percent_possible_all
Revision 1.7Feb 28, 2024Group: 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 / struct_conn / 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_label_asym_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_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_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
B: Putative chloromuconate cycloisomerase
A: Putative chloromuconate cycloisomerase
C: Putative chloromuconate cycloisomerase
D: Putative chloromuconate cycloisomerase
E: Putative chloromuconate cycloisomerase
F: Putative chloromuconate cycloisomerase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)236,13227
Polymers234,5536
Non-polymers1,57921
Water9,620534
1
B: Putative chloromuconate cycloisomerase
C: Putative chloromuconate cycloisomerase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)78,7099
Polymers78,1842
Non-polymers5257
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3780 Å2
ΔGint-92 kcal/mol
Surface area26020 Å2
MethodPISA
2
A: Putative chloromuconate cycloisomerase
hetero molecules

F: Putative chloromuconate cycloisomerase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)78,7139
Polymers78,1842
Non-polymers5297
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation1_455x-1,y,z1
Buried area3300 Å2
ΔGint-71 kcal/mol
Surface area25890 Å2
MethodPISA
3
D: Putative chloromuconate cycloisomerase
E: Putative chloromuconate cycloisomerase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)78,7099
Polymers78,1842
Non-polymers5257
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3290 Å2
ΔGint-58 kcal/mol
Surface area25920 Å2
MethodPISA
Unit cell
Length a, b, c (Å)79.190, 150.670, 106.020
Angle α, β, γ (deg.)90.000, 104.660, 90.000
Int Tables number4
Space group name H-MP1211
DetailsTHE AUTHOR STATES THAT THE BIOLOGICAL UNIT OF THIS PROTEIN IS UNKNOWN.

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Components

#1: Protein
Putative chloromuconate cycloisomerase / isomerase / dipeptide epimerase


Mass: 39092.113 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Methylococcus capsulatus (bacteria) / Strain: Bath / Gene: MCA1834 / Plasmid: pET-17b / Production host: Escherichia coli (E. coli) / Strain (production host): Bl21 (DE3) / References: UniProt: Q607C7
#2: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Mg
#3: Chemical
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 13 / Source method: obtained synthetically / Formula: SO4
#4: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


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


Mass: 18.015 Da / Num. of mol.: 534 / 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: 2.61 Å3/Da / Density % sol: 52.85 %
Crystal growTemperature: 277 K / Method: vapor diffusion, hanging drop / pH: 5.5
Details: Precipitant contained 10% PEG 4000, 0.2M MgSO4 and 0.1M MES. Protein solution contained 0.1M KCl, 0.05M HEPES (pH 8.0), 0.005M L-Arg-L-Lys, and 0.005M MgCl2. Protein concentration was 10 ...Details: Precipitant contained 10% PEG 4000, 0.2M MgSO4 and 0.1M MES. Protein solution contained 0.1M KCl, 0.05M HEPES (pH 8.0), 0.005M L-Arg-L-Lys, and 0.005M MgCl2. Protein concentration was 10 mg/mL, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 21-ID-D / Wavelength: 0.9792 Å
DetectorType: RAYONIX MX-300 / Detector: CCD / Date: Mar 31, 2010
RadiationMonochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9792 Å / Relative weight: 1
ReflectionResolution: 2.2→19.9 Å / Num. all: 121739 / Num. obs: 121455 / % possible obs: 99.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Biso Wilson estimate: 33.315 Å2 / Rmerge(I) obs: 0.113 / Net I/σ(I): 13.03
Reflection shell

Diffraction-ID: 1

Resolution (Å)Highest resolution (Å)Rmerge(I) obsMean I/σ(I) obsNum. measured obsNum. unique obs% possible all
2.2-2.240.6083.45376406336100
2.24-2.280.5623.7235335595299.9
2.28-2.320.5253.93330125546100
2.32-2.370.4754.3737992638599.9
2.37-2.420.4055.03352235919100
2.42-2.480.385.27384196445100
2.48-2.540.3345.8934984585499.9
2.54-2.610.2916.63368556183100
2.61-2.680.2587.3833118555899.9
2.68-2.770.2278.29376776313100
2.77-2.870.1859.85367756173100
2.87-2.980.15611.5334608579699.8
2.98-3.120.12713.41376586328100
3.12-3.490.09617.04721841218799.9
3.49-3.760.06822.4236161611699.9
3.76-4.130.05725.6534993598399.8
4.13-4.720.0528.835677608199.8
4.72-5.920.04828.8436043612999.9
5.920.04231.3835628617196.9

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassificationNB
XSCALEdata scaling
PHASERphasing
PHENIXdev_721refinement
PDB_EXTRACT3.1data extraction
HKL-2000data collection
XDSdata reduction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.2→19.895 Å / Occupancy max: 1 / Occupancy min: 0.36 / FOM work R set: 0.8545 / SU ML: 0.69 / σ(F): 2 / Phase error: 22.25 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2289 6073 5 %random
Rwork0.1744 ---
all0.207 121430 --
obs0.1771 121424 99.96 %-
Solvent computationShrinkage radii: 0.95 Å / VDW probe radii: 1.2 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 44.944 Å2 / ksol: 0.4 e/Å3
Displacement parametersBiso max: 201.31 Å2 / Biso mean: 29.0025 Å2 / Biso min: 3.82 Å2
Baniso -1Baniso -2Baniso -3
1--0.3527 Å20 Å2-0.5126 Å2
2--0.7574 Å20 Å2
3----0.4047 Å2
Refinement stepCycle: LAST / Resolution: 2.2→19.895 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms15827 0 83 534 16444
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00816272
X-RAY DIFFRACTIONf_angle_d1.26422066
X-RAY DIFFRACTIONf_chiral_restr0.0952536
X-RAY DIFFRACTIONf_plane_restr0.0072904
X-RAY DIFFRACTIONf_dihedral_angle_d13.7086152
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 30 / % reflection obs: 100 %

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all
2.2-2.2250.31542000.225538104010
2.225-2.25110.2892020.206638394041
2.2511-2.27850.29252010.211338234024
2.2785-2.30730.28342020.215938404042
2.3073-2.33760.25522020.197938254027
2.3376-2.36960.30482010.209838184019
2.3696-2.40340.25922050.194238974102
2.4034-2.43920.25721990.19337743973
2.4392-2.47730.29032030.195338654068
2.4773-2.51780.2552010.194138124013
2.5178-2.56110.26962040.196238774081
2.5611-2.60760.26392000.187938124012
2.6076-2.65760.24412030.193738524055
2.6576-2.71180.2622020.19538374039
2.7118-2.77060.25722010.190238114012
2.7706-2.83490.26442050.184339054110
2.8349-2.90550.23032010.179638034004
2.9055-2.98380.23842010.189338194020
2.9838-3.07130.27452030.186438564059
3.0713-3.17010.22962040.182538814085
3.1701-3.28290.24492020.180538454047
3.2829-3.41370.20912030.167738434046
3.4137-3.56830.22142010.165238174018
3.5683-3.75520.1972030.166138574060
3.7552-3.98870.18822040.157238754079
3.9887-4.29380.18972010.139638294030
4.2938-4.72070.18172040.136838684072
4.7207-5.39190.21042030.14838624065
5.3919-6.74880.23282050.184738844089
6.7488-19.8960.16912070.155339154122
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)
10.0617-0.02880.0040.054-0.03990.0361-0.0184-0.05090.06290.08080.0004-0.04150.0058-0.0162-0.02090.148-0.0317-0.00990.1171-0.07160.14210.656511.207149.7366
20.0025-0.0012-0.00060.0019-0.00170.0029-0.0384-0.03220.00990.0315-0.0034-0.00380.0438-0.0075-00.19360.0264-0.00980.2326-0.05430.134812.8055-3.929952.7761
30.00790.00350.00050.00560.00350.0027-0.003-0.03060.023-0.0008-0.0161-0.0219-0.01220.034600.1666-0.00210.00380.1473-0.02870.188523.57055.86541.0828
40.27850.09970.05750.03790.01920.1532-0.0373-0.01860.11890.01970.02090.0735-0.07480.037-0.04790.11530.00820.02580.07420.00150.09024.37945.304536.8315
50.02890.0143-0.00280.01570.00610.0099-0.0201-0.0848-0.04250.0234-0.0130.0451-0.0493-0.035-0.0140.1960.05030.07990.18710.00470.1918-15.4843-7.340846.4794
60.0107-0.0189-0.01430.04030.03130.021-0.0192-0.0216-0.10180.0330.02340.12220.0217-0.02140.06420.06120.02510.04370.04720.00960.1955-10.6684-18.738741.0477
70.00380.00220.00160.0078-0.00480.00350.01890.01730.0068-0.0069-0.0213-0.0124-0.0728-0.0385-00.090.02030.00440.1137-0.00650.1314.7107-19.058433.226
80.03330.0121-0.0010.00430.00010.0041-0.0110.06190.001-0.06170.0063-0.0623-0.0066-0.00380.00030.14060.02440.01580.0705-0.01170.10668.9015-5.370333.6035
90.03320.0066-0.00110.0032-0.01090.0844-0.0205-0.02320.01730.04490.01630.0187-0.012-0.00720.00310.08020.01610.01410.0436-0.03210.0997-0.04570.68639.0282
100.05410.0394-0.00760.0299-0.00690.0197-0.0103-0.00040.04740.06470.05340.0513-0.107-0.0110.00530.17970.04350.01840.1163-0.05190.2223-2.568812.406939.2929
110.1029-0.0481-0.02950.04150.0440.06710.01150.0467-0.14170.02270.0017-0.01330.0186-0.00160.0610.10010.0065-0.0090.0457-0.03240.129-37.2810.341157.1977
120.0632-0.0166-0.06230.08870.11570.1554-0.00560.0075-0.08040.0150.1298-0.11920.06140.20350.5275-0.04140.10840.12020.0776-0.1306-0.0018-20.388724.924967.769
130.1252-0.04480.05780.0423-0.00940.0328-0.01420.11980.0621-0.07520.03860.01450.0293-0.05170.02050.1941-0.02270.03510.13750.06660.143820.19978.04853.0133
140.0066-0.00730.00050.0076-0.00030.0043-0.02350.04210.05960.00820.01460.0293-0.0347-0.0372-00.17250.00770.0360.13340.0570.15557.38548.460512.7646
150.1203-0.0068-0.01130.0122-0.04630.2043-0.041-0.02210.12860.01410.0506-0.0386-0.1010.0262-0.02940.1269-0.01470.01590.1020.00320.135526.29514.915516.857
160.02620.01680.010.02240.0110.0050.00290.0438-0.0277-0.04320.0375-0.0923-0.01260.03980.17780.0678-0.01680.14530.1189-0.06960.27239.9044-17.09388.9014
170.0091-0.0087-0.00780.01270.02560.07430.0268-0.047-0.0298-0.0136-0.0298-0.0178-0.0482-0.0055-0.00220.1024-0.02870.02070.08390.01280.134522.5287-19.337217.7934
180.0057-0.0006-0.00430.00330.00250.0042-0.0076-0.00810.02970.05020.0413-0.0272-0.0101-0.0099-00.1564-0.01080.02330.09710.01170.159220.2972-5.369119.041
190.0182-0.01450.00310.01280.00030.0028-0.00360.03460.0854-0.01790.0122-0.0734-0.001-0.008200.1385-0.03130.02090.110.02480.179230.0824-0.105514.2038
200.0288-0.00210.00260.00850.01850.04450.00580.02840.022-0.01220.0289-0.0173-0.06090.02140.01140.1445-0.05190.05620.10410.01830.263834.023911.43514.8529
210.0214-0.02730.00960.0399-0.01230.02630.02080.0066-0.033-0.0363-0.01130.01740.01080.00430.02370.17170.0081-0.07420.06310.08050.1652-14.07138.5373-2.6978
220.0278-0.02370.02380.07280.03640.0943-0.0058-0.0774-0.06650.08860.00450.02480.0503-0.0649-0.04670.11680.0020.01480.1270.06580.1029-13.717919.5511.1902
230.03020.022-0.03160.0223-0.02210.04950.0262-0.0234-0.03660.00010.03890.07180.0389-0.13090.25960.0292-0.0610.00040.2090.09520.0897-36.70422.6582-22.2774
240.0033-0.00330.00240.0032-0.00030.00850.0355-0.00360.03190.02870.00270.0857-0.03490.0131-00.09580.00320.01250.11490.03610.1113-20.87634.0299-20.0022
250.0379-0.00960.00560.0062-0.00360.00330.0155-0.031-0.03050.01790.01550.04480.0198-0.0620.14040.1023-0.02110.02880.11610.07830.0864-23.259723.5483-5.64
260.0510.05650.02780.12040.0970.09310.0318-0.0351-0.03630.0844-0.0341-0.03230.0662-0.05640.0880.2114-0.07170.01250.30330.13720.231-29.709415.04315.5046
270.05620.03560.03420.05020.01660.0273-0.0389-0.08480.0323-0.0076-0.01250.0216-0.0584-0.0231-0.1460.3109-0.00180.06850.2267-0.0590.0662-12.124851.392618.7141
280.01320.00480.00410.0069-0.00130.0034-0.0037-0.0212-0.00240.0229-0.00190.01980.0054-0.014-0.03810.0966-0.01160.07890.13660.02390.0496-23.136641.541913.7171
290.0278-0.0223-0.00230.0545-0.03110.0331-0.0529-0.15090.02650.16850.0155-0.04240.02490.0252-0.00290.17340.00990.03950.12560.0060.1217-3.544640.929911.0208
300.0270.026-0.03070.0256-0.02960.03560.0284-0.03010.04910.0318-0.01070.006-0.03320.05330.04580.145-0.0728-0.07360.173-0.02960.254914.174957.96154.7615
310.0379-0.01450.01460.0831-0.00820.0083-0.02610.02930.0997-0.0157-0.0329-0.2196-0.02190.08540.00250.09220.00180.00040.12490.04590.15749.206958.3674-7.8167
320.0586-0.018-0.01060.026-0.00560.00610.0059-0.04470.00680.0513-0.0023-0.0055-0.00290.0204-0.02430.0789-0.00540.0180.0324-0.0005-0.0232-3.705946.2955-1.0841
330.0944-0.018-0.03530.08570.04130.0278-0.0369-0.05640.03530.0966-0.0394-0.0617-0.0306-0.0198-0.0240.266-0.0147-0.08020.31270.04850.13413.519840.557518.3279
34-0.0012-0.0003-0.00090.001-0.00440.0053-0.01690.0220.017-0.0199-0.0067-0.0034-0.01340.008-0.07480.2617-0.0893-0.00230.06030.05010.011137.937245.987533.8504
350.16480.00050.08580.00020.00030.045-0.03030.09930.03190-0.02-0.0125-0.06210.0694-0.01020.2641-0.08460.05680.2394-0.00290.112950.034638.883339.7456
360.00380.00590.0010.1094-0.10720.1123-0.1270.03820.0976-0.2017-0.07850.1803-0.101-0.0795-0.82920.1990.0341-0.14110.1251-0.0680.280319.855844.272947.2205
370.06150.03110.01510.0211-0.00690.062-0.0215-0.02460.0411-0.0659-0.02780.1919-0.1006-0.02350.02370.15520.0116-0.06720.1396-0.08880.282918.876751.973861.0708
380.02210.0014-0.01740.053-0.02210.0218-0.0103-0.0591-0.0261-0.06030.0245-0.03510.0178-0.0071-0.00390.0841-0.0141-0.0260.078-0.01670.092131.003846.903864.8148
390.1658-0.0334-0.10240.02370.00040.0876-0.0806-0.0552-0.0689-0.00760.0010.0460.02170.0493-0.00390.1629-0.0316-0.02310.1111-0.00150.122835.431639.353253.05
400.0698-0.0024-0.10270.0014-0.00170.2955-0.08340.01590.0451-0.0741-0.01330.0387-0.0222-0.023-0.26920.2237-0.034-0.07730.08450.00460.12526.531439.973945.6279
410.0062-0.0071-0.0040.01450.01810.0315-0.01880.02030.0153-0.0402-0.0020.0304-0.0226-0.0027-0.03070.2965-0.0442-0.11320.1478-0.02490.146423.931333.300835.7136
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'B' and (resseq 1:48)B0
2X-RAY DIFFRACTION2chain 'B' and (resseq 49:66)B0
3X-RAY DIFFRACTION3chain 'B' and (resseq 67:96)B0
4X-RAY DIFFRACTION4chain 'B' and (resseq 97:140)B0
5X-RAY DIFFRACTION5chain 'B' and (resseq 141:166)B0
6X-RAY DIFFRACTION6chain 'B' and (resseq 167:223)B0
7X-RAY DIFFRACTION7chain 'B' and (resseq 224:261)B0
8X-RAY DIFFRACTION8chain 'B' and (resseq 262:286)B0
9X-RAY DIFFRACTION9chain 'B' and (resseq 287:328)B0
10X-RAY DIFFRACTION10chain 'B' and (resseq 329:354)B0
11X-RAY DIFFRACTION11chain 'A' and (resseq 1:115)A0
12X-RAY DIFFRACTION12chain 'A' and (resseq 116:355)A0
13X-RAY DIFFRACTION13chain 'C' and (resseq 1:66)C0
14X-RAY DIFFRACTION14chain 'C' and (resseq 67:96)C0
15X-RAY DIFFRACTION15chain 'C' and (resseq 97:140)C0
16X-RAY DIFFRACTION16chain 'C' and (resseq 141:223)C0
17X-RAY DIFFRACTION17chain 'C' and (resseq 224:261)C0
18X-RAY DIFFRACTION18chain 'C' and (resseq 262:286)C0
19X-RAY DIFFRACTION19chain 'C' and (resseq 287:328)C0
20X-RAY DIFFRACTION20chain 'C' and (resseq 329:355)C0
21X-RAY DIFFRACTION21chain 'D' and (resseq 1:66)D0
22X-RAY DIFFRACTION22chain 'D' and (resseq 67:140)D0
23X-RAY DIFFRACTION23chain 'D' and (resseq 141:223)D0
24X-RAY DIFFRACTION24chain 'D' and (resseq 224:261)D0
25X-RAY DIFFRACTION25chain 'D' and (resseq 262:328)D0
26X-RAY DIFFRACTION26chain 'D' and (resseq 329:355)D0
27X-RAY DIFFRACTION27chain 'E' and (resseq 1:66)E0
28X-RAY DIFFRACTION28chain 'E' and (resseq 67:96)E0
29X-RAY DIFFRACTION29chain 'E' and (resseq 97:140)E0
30X-RAY DIFFRACTION30chain 'E' and (resseq 141:166)E0
31X-RAY DIFFRACTION31chain 'E' and (resseq 167:223)E0
32X-RAY DIFFRACTION32chain 'E' and (resseq 224:328)E0
33X-RAY DIFFRACTION33chain 'E' and (resseq 329:354)E0
34X-RAY DIFFRACTION34chain 'F' and (resseq 1:66)F0
35X-RAY DIFFRACTION35chain 'F' and (resseq 67:96)F0
36X-RAY DIFFRACTION36chain 'F' and (resseq 97:181)F0
37X-RAY DIFFRACTION37chain 'F' and (resseq 182:223)F0
38X-RAY DIFFRACTION38chain 'F' and (resseq 224:261)F0
39X-RAY DIFFRACTION39chain 'F' and (resseq 262:285)F0
40X-RAY DIFFRACTION40chain 'F' and (resseq 286:328)F0
41X-RAY DIFFRACTION41chain 'F' and (resseq 329:354)F0

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