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- PDB-2xso: CRYSTAL STRUCTURE OF P4 VARIANT OF BIPHENYL DIOXYGENASE FROM BURK... -

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Basic information

Entry
Database: PDB / ID: 2xso
TitleCRYSTAL STRUCTURE OF P4 VARIANT OF BIPHENYL DIOXYGENASE FROM BURKHOLDERIA XENOVORANS LB400
Components
  • BIPHENYL DIOXYGENASE SUBUNIT ALPHA
  • BIPHENYL DIOXYGENASE SUBUNIT BETA
KeywordsOXIDOREDUCTASE
Function / homology
Function and homology information


biphenyl 2,3-dioxygenase / biphenyl 2,3-dioxygenase activity / 3-phenylpropionate catabolic process / catabolic process / 2 iron, 2 sulfur cluster binding / iron ion binding
Similarity search - Function
Ring-hydroxylating dioxygenase, alpha subunit NdoB-like, C-terminal / Ring hydroxylating beta subunit / Ring-hydroxylating dioxygenase beta subunit / Aromatic-ring-hydroxylating dioxygenase, alpha subunit / Aromatic-ring-hydroxylating dioxygenase, alpha subunit, C-terminal domain / Ring hydroxylating alpha subunit (catalytic domain) / Aromatic-ring-hydroxylating dioxygenase, 2Fe-2S-binding site / Bacterial ring hydroxylating dioxygenases alpha-subunit signature. / Naphthalene 1,2-dioxygenase Alpha Subunit; Chain A, domain 1 / Naphthalene 1,2-dioxygenase Alpha Subunit; Chain A, domain 1 ...Ring-hydroxylating dioxygenase, alpha subunit NdoB-like, C-terminal / Ring hydroxylating beta subunit / Ring-hydroxylating dioxygenase beta subunit / Aromatic-ring-hydroxylating dioxygenase, alpha subunit / Aromatic-ring-hydroxylating dioxygenase, alpha subunit, C-terminal domain / Ring hydroxylating alpha subunit (catalytic domain) / Aromatic-ring-hydroxylating dioxygenase, 2Fe-2S-binding site / Bacterial ring hydroxylating dioxygenases alpha-subunit signature. / Naphthalene 1,2-dioxygenase Alpha Subunit; Chain A, domain 1 / Naphthalene 1,2-dioxygenase Alpha Subunit; Chain A, domain 1 / Rieske Iron-sulfur Protein / Rieske [2Fe-2S] iron-sulphur domain / 3-layer Sandwich / Nuclear Transport Factor 2; Chain: A, - #50 / Rieske [2Fe-2S] domain / Rieske [2Fe-2S] iron-sulphur domain / Rieske [2Fe-2S] iron-sulfur domain profile. / Rieske [2Fe-2S] iron-sulphur domain superfamily / NTF2-like domain superfamily / Nuclear Transport Factor 2; Chain: A, / Roll / Alpha-Beta Complex / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
: / FE2/S2 (INORGANIC) CLUSTER / Biphenyl dioxygenase subunit alpha / Biphenyl dioxygenase subunit beta
Similarity search - Component
Biological speciesBURKHOLDERIA XENOVORANS (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.2 Å
AuthorsKumar, P. / Bolin, J.T.
CitationJournal: J.Mol.Biol. / Year: 2011
Title: Structural Insight Into the Expanded Pcb-Degrading Abilities of a Biphenyl Dioxygenase Obtained by Directed Evolution.
Authors: Kumar, P. / Mohammadi, M. / Viger, J.F. / Barriault, D. / Gomez-Gil, L. / Eltis, L.D. / Bolin, J.T. / Sylvestre, M.
History
DepositionSep 29, 2010Deposition site: PDBE / Processing site: PDBE
Revision 1.0Nov 24, 2010Provider: repository / Type: Initial release
Revision 1.1Sep 26, 2012Group: Derived calculations / Refinement description / Version format compliance
Revision 1.2Oct 3, 2012Group: Derived calculations
Revision 1.3Dec 20, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_initial_refinement_model / 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_database_status.status_code_sf / _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.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_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_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_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: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
B: BIPHENYL DIOXYGENASE SUBUNIT BETA
C: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
D: BIPHENYL DIOXYGENASE SUBUNIT BETA
E: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
F: BIPHENYL DIOXYGENASE SUBUNIT BETA
G: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
H: BIPHENYL DIOXYGENASE SUBUNIT BETA
I: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
J: BIPHENYL DIOXYGENASE SUBUNIT BETA
K: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
L: BIPHENYL DIOXYGENASE SUBUNIT BETA
M: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
N: BIPHENYL DIOXYGENASE SUBUNIT BETA
O: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
P: BIPHENYL DIOXYGENASE SUBUNIT BETA
Q: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
R: BIPHENYL DIOXYGENASE SUBUNIT BETA
S: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
T: BIPHENYL DIOXYGENASE SUBUNIT BETA
U: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
V: BIPHENYL DIOXYGENASE SUBUNIT BETA
W: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
X: BIPHENYL DIOXYGENASE SUBUNIT BETA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)886,48748
Polymers883,70724
Non-polymers2,78024
Water45,4702524
1
C: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
D: BIPHENYL DIOXYGENASE SUBUNIT BETA
E: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
F: BIPHENYL DIOXYGENASE SUBUNIT BETA
G: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
H: BIPHENYL DIOXYGENASE SUBUNIT BETA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)221,62212
Polymers220,9276
Non-polymers6956
Water1086
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area31800 Å2
ΔGint-187.9 kcal/mol
Surface area58880 Å2
MethodPISA
2
K: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
L: BIPHENYL DIOXYGENASE SUBUNIT BETA
M: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
N: BIPHENYL DIOXYGENASE SUBUNIT BETA
Q: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
R: BIPHENYL DIOXYGENASE SUBUNIT BETA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)221,62212
Polymers220,9276
Non-polymers6956
Water1086
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area32340 Å2
ΔGint-193 kcal/mol
Surface area56000 Å2
MethodPISA
3
S: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
T: BIPHENYL DIOXYGENASE SUBUNIT BETA
U: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
V: BIPHENYL DIOXYGENASE SUBUNIT BETA
W: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
X: BIPHENYL DIOXYGENASE SUBUNIT BETA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)221,62212
Polymers220,9276
Non-polymers6956
Water1086
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area32510 Å2
ΔGint-194.1 kcal/mol
Surface area55770 Å2
MethodPISA
4
A: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
B: BIPHENYL DIOXYGENASE SUBUNIT BETA
hetero molecules

I: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
J: BIPHENYL DIOXYGENASE SUBUNIT BETA
O: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
P: BIPHENYL DIOXYGENASE SUBUNIT BETA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)221,62212
Polymers220,9276
Non-polymers6956
Water1086
TypeNameSymmetry operationNumber
crystal symmetry operation1_454x-1,y,z-11
identity operation1_555x,y,z1
Buried area32360 Å2
ΔGint-192.7 kcal/mol
Surface area56010 Å2
MethodPISA
5
A: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
B: BIPHENYL DIOXYGENASE SUBUNIT BETA
hetero molecules

I: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
J: BIPHENYL DIOXYGENASE SUBUNIT BETA
O: BIPHENYL DIOXYGENASE SUBUNIT ALPHA
P: BIPHENYL DIOXYGENASE SUBUNIT BETA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)221,62212
Polymers220,9276
Non-polymers6956
Water1086
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation1_656x+1,y,z+11
Buried area32360 Å2
ΔGint-192.7 kcal/mol
Surface area56010 Å2
MethodPISA
Unit cell
Length a, b, c (Å)133.472, 133.585, 133.229
Angle α, β, γ (deg.)102.51, 104.99, 102.75
Int Tables number1
Space group name H-MP1

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Components

#1: Protein
BIPHENYL DIOXYGENASE SUBUNIT ALPHA


Mass: 51528.383 Da / Num. of mol.: 12 / Mutation: YES
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) BURKHOLDERIA XENOVORANS (bacteria) / Strain: LB400 / Variant: P4 / Production host: ESCHERICHIA COLI (E. coli) / References: UniProt: P37333, biphenyl 2,3-dioxygenase
#2: Protein
BIPHENYL DIOXYGENASE SUBUNIT BETA


Mass: 22113.846 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) BURKHOLDERIA XENOVORANS (bacteria) / Strain: LB400 / Variant: P4 / Production host: ESCHERICHIA COLI (E. coli) / References: UniProt: P37334, biphenyl 2,3-dioxygenase
#3: Chemical
ChemComp-FES / FE2/S2 (INORGANIC) CLUSTER


Mass: 175.820 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: Fe2S2
#4: Chemical
ChemComp-FE2 / FE (II) ION


Mass: 55.845 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: Fe
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 2524 / Source method: isolated from a natural source / Formula: H2O
Compound detailsENGINEERED RESIDUE IN CHAIN A, THR 335 TO ALA ENGINEERED RESIDUE IN CHAIN A, PHE 336 TO MET ...ENGINEERED RESIDUE IN CHAIN A, THR 335 TO ALA ENGINEERED RESIDUE IN CHAIN A, PHE 336 TO MET ENGINEERED RESIDUE IN CHAIN C, THR 335 TO ALA ENGINEERED RESIDUE IN CHAIN C, PHE 336 TO MET ENGINEERED RESIDUE IN CHAIN E, THR 335 TO ALA ENGINEERED RESIDUE IN CHAIN E, PHE 336 TO MET ENGINEERED RESIDUE IN CHAIN G, THR 335 TO ALA ENGINEERED RESIDUE IN CHAIN G, PHE 336 TO MET ENGINEERED RESIDUE IN CHAIN I, THR 335 TO ALA ENGINEERED RESIDUE IN CHAIN I, PHE 336 TO MET ENGINEERED RESIDUE IN CHAIN K, THR 335 TO ALA ENGINEERED RESIDUE IN CHAIN K, PHE 336 TO MET ENGINEERED RESIDUE IN CHAIN M, THR 335 TO ALA ENGINEERED RESIDUE IN CHAIN M, PHE 336 TO MET ENGINEERED RESIDUE IN CHAIN O, THR 335 TO ALA ENGINEERED RESIDUE IN CHAIN O, PHE 336 TO MET ENGINEERED RESIDUE IN CHAIN Q, THR 335 TO ALA ENGINEERED RESIDUE IN CHAIN Q, PHE 336 TO MET ENGINEERED RESIDUE IN CHAIN S, THR 335 TO ALA ENGINEERED RESIDUE IN CHAIN S, PHE 336 TO MET ENGINEERED RESIDUE IN CHAIN U, THR 335 TO ALA ENGINEERED RESIDUE IN CHAIN U, PHE 336 TO MET ENGINEERED RESIDUE IN CHAIN W, THR 335 TO ALA ENGINEERED RESIDUE IN CHAIN W, PHE 336 TO MET

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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: 2.3 Å3/Da / Density % sol: 50 % / Description: NONE
Crystal growpH: 6 / Details: PEG 8K, PIPES BUFFER PH 6.5

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1
DetectorType: MARRESEARCH / Detector: CCD
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.2→125 Å / Num. obs: 377867 / % possible obs: 90 % / Observed criterion σ(I): 2 / Redundancy: 2.4 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 8.9
Reflection shellResolution: 2.2→2.25 Å / Redundancy: 1.2 % / Rmerge(I) obs: 0.35 / Mean I/σ(I) obs: 2 / % possible all: 64.3

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Processing

Software
NameVersionClassification
REFMAC5.2.0019refinement
HKL-2000data reduction
SCALEPACKdata scaling
MOLREPphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 2XR8

2xr8


Resolution: 2.2→125 Å / Cor.coef. Fo:Fc: 0.936 / Cor.coef. Fo:Fc free: 0.902 / SU B: 15.185 / SU ML: 0.202 / Cross valid method: THROUGHOUT / ESU R: 0.372 / ESU R Free: 0.256 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
RfactorNum. reflection% reflectionSelection details
Rfree0.266 18986 5 %RANDOM
Rwork0.215 ---
obs0.217 358861 90 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso mean: 30.43 Å2
Baniso -1Baniso -2Baniso -3
1--0.23 Å20.12 Å2-1.34 Å2
2---1.33 Å2-0.95 Å2
3---0.51 Å2
Refinement stepCycle: LAST / Resolution: 2.2→125 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms59327 0 60 2524 61911
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0090.02161033
X-RAY DIFFRACTIONr_bond_other_d
X-RAY DIFFRACTIONr_angle_refined_deg1.1961.93382730
X-RAY DIFFRACTIONr_angle_other_deg
X-RAY DIFFRACTIONr_dihedral_angle_1_deg6.29857346
X-RAY DIFFRACTIONr_dihedral_angle_2_deg36.24623.33127
X-RAY DIFFRACTIONr_dihedral_angle_3_deg15.599159835
X-RAY DIFFRACTIONr_dihedral_angle_4_deg16.31815504
X-RAY DIFFRACTIONr_chiral_restr0.0810.28474
X-RAY DIFFRACTIONr_gen_planes_refined0.0040.0247882
X-RAY DIFFRACTIONr_gen_planes_other
X-RAY DIFFRACTIONr_nbd_refined0.1950.228923
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined0.3010.240448
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined0.2210.24049
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined0.1330.212
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined0.1690.2284
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined0.1790.264
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it0.4631.537699
X-RAY DIFFRACTIONr_mcbond_other
X-RAY DIFFRACTIONr_mcangle_it0.744258782
X-RAY DIFFRACTIONr_mcangle_other
X-RAY DIFFRACTIONr_scbond_it1.175327107
X-RAY DIFFRACTIONr_scbond_other
X-RAY DIFFRACTIONr_scangle_it1.84.523924
X-RAY DIFFRACTIONr_scangle_other
X-RAY DIFFRACTIONr_long_range_B_refined
X-RAY DIFFRACTIONr_long_range_B_other
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
LS refinement shellResolution: 2.2→2.26 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.317 919 -
Rwork0.262 18353 -
obs--61.84 %
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)
10.438-0.3265-0.01590.7247-0.04430.3523-0.0964-0.0653-0.02650.15070.13640.06250.1098-0.065-0.04-0.0358-0.01350.0066-0.03650.0695-0.0644-3.8982-5.40585.8466
20.3465-0.20690.02090.6774-0.07140.3734-0.0159-0.00430.0962-0.01340.0599-0.14230.0339-0.01-0.044-0.1316-0.0569-0.0078-0.02060.00370.039512.11913.2585-14.3745
30.4823-0.0891-0.02830.70520.10840.31050.13410.15350.0012-0.4429-0.16350.0985-0.1544-0.11590.02940.2090.1406-0.0673-0.02770.0346-0.2274-35.273544.2919-66.4517
40.37-0.1264-0.09750.69430.26960.59410.0955-0.04840.0877-0.1598-0.0816-0.0759-0.1438-0.0322-0.0138-0.0021-0.01960.0313-0.08370.0695-0.0614-25.023751.2556-36.8237
50.3965-0.2397-0.15460.61660.05170.34620.10690.0029-0.1172-0.2251-0.12390.0140.0421-0.00120.0169-0.0179-0.008-0.0148-0.09960.0015-0.035-16.00245.1733-49.2668
60.1462-0.3054-0.06040.6783-0.00680.46640.0257-0.0795-0.0043-0.06870.0027-0.0953-0.04640.038-0.0283-0.0877-0.05620.0149-0.04440.0497-0.0039-11.311429.9322-29.2612
70.3442-0.1292-0.15350.6170.02240.27870.05750.0608-0.2388-0.0663-0.15410.3529-0.0188-0.11650.0966-0.1779-0.0428-0.06940.0061-0.06850.1494-58.261418.7902-34.531
80.6214-0.2631-0.0050.80020.11340.11670.0094-0.0605-0.03240.071-0.03390.0553-0.0323-0.02460.0245-0.0878-0.0640.0208-0.00960.0652-0.0413-35.05434.3788-18.7696
90.6977-0.2596-0.10990.76090.11090.4748-0.2615-0.25270.30650.40990.3491-0.1703-0.0392-0.0055-0.08750.0730.202-0.18970.006-0.2222-0.0292-91.302772.6884-97.271
100.8416-0.2517-0.22610.69450.17721.1291-0.0938-0.06070.35550.08080.1926-0.3134-0.11360-0.0988-0.0715-0.0349-0.0791-0.0245-0.09710.2834-75.554771.7654-125.1232
110.693-0.4883-0.2160.88570.09960.52820.00290.02610.0491-0.24940.0784-0.220.06260.0856-0.08140.0251-0.03490.1698-0.12010.0384-0.041816.796168.2971-59.2411
120.9471-0.5721-0.3671.00490.45730.3197-0.03510.0149-0.0509-0.10390.01790.0603-0.0164-0.0530.01710.0079-0.01660.0391-0.1330.0652-0.0363-11.363278.2955-47.9737
130.29480.0770.08711.04870.21830.8065-0.0882-0.16920.08050.26040.1176-0.30730.07520.0698-0.0293-0.09020.1088-0.0753-0.0107-0.05960.045619.776681.2265-14.3985
140.901-0.22190.10150.81280.11540.2298-0.1648-0.2350.09490.21010.15390.02240.0082-0.0210.0110.00980.08750.0429-0.04180.0101-0.0548-9.199290.5413-24.2613
150.3587-0.03930.13370.58320.01280.3304-0.1959-0.25120.12070.28340.1958-0.33370.110.08960.0001-0.00790.212-0.28810.0943-0.16190.0351-60.491937.4415-98.5203
160.2144-0.2695-0.02660.3429-0.02070.6918-0.096-0.03230.15260.10070.1415-0.23290.10890.0405-0.0454-0.03170.0035-0.04540.1427-0.06480.2631-61.85948.988-128.3675
170.5078-0.10.04560.86090.09550.5467-0.03950.02930.3847-0.24650.1237-0.5003-0.25070.1661-0.0842-0.062-0.16290.2139-0.20320.01570.361522.6369113.4296-48.2061
181.046-0.6070.00911.03530.26260.46120.005-0.04460.2223-0.24820.0258-0.1348-0.1046-0.0225-0.03080.0238-0.02250.067-0.18510.05850.0386-8.0303104.772-46.8741
190.5156-0.12190.07140.5797-0.1110.5746-0.19770.02610.06590.00840.00930.049-0.3138-0.23210.18840.01580.1812-0.12240.0068-0.0427-0.0343-70.807568.5787-8.7863
200.5939-0.42060.59360.774-0.55641.3462-0.2328-0.1399-0.13190.16130.0728-0.0383-0.1554-0.26650.16-0.06570.02260.0557-0.01160.0403-0.0572-55.960443.4013.7969
210.71560.08950.01891.05720.57211.0993-0.0327-0.13750.25410.18790.0543-0.3073-0.18270.1956-0.02160.1568-0.0936-0.3815-0.1992-0.00830.1163-33.455681.245416.2089
220.5184-0.37580.75871.7373-0.35222.6693-0.4918-0.0790.06760.52770.0627-0.3402-0.3870.18650.42920.11250.058-0.1854-0.1040.0824-0.0957-37.582450.166722.0677
231.305-0.1240.11320.7386-0.180.5369-0.2132-0.49260.16780.54260.0950.1888-0.2999-0.27590.11820.28640.34050.00460.132-0.2159-0.2623-74.367173.34637.7399
240.8135-0.06530.71620.9234-0.58051.3731-0.3654-0.4622-0.02940.48550.24660.1226-0.2672-0.54880.11880.13820.33230.13630.22020.062-0.3037-62.795944.932329.5557
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A18 - 459
2X-RAY DIFFRACTION2B6 - 188
3X-RAY DIFFRACTION3C18 - 459
4X-RAY DIFFRACTION4D6 - 188
5X-RAY DIFFRACTION5E18 - 459
6X-RAY DIFFRACTION6F6 - 188
7X-RAY DIFFRACTION7G18 - 459
8X-RAY DIFFRACTION8H8 - 188
9X-RAY DIFFRACTION9I18 - 459
10X-RAY DIFFRACTION10J8 - 188
11X-RAY DIFFRACTION11K18 - 459
12X-RAY DIFFRACTION12L8 - 188
13X-RAY DIFFRACTION13M18 - 459
14X-RAY DIFFRACTION14N8 - 188
15X-RAY DIFFRACTION15O18 - 459
16X-RAY DIFFRACTION16P8 - 188
17X-RAY DIFFRACTION17Q18 - 459
18X-RAY DIFFRACTION18R8 - 188
19X-RAY DIFFRACTION19S18 - 459
20X-RAY DIFFRACTION20T8 - 188
21X-RAY DIFFRACTION21U18 - 459
22X-RAY DIFFRACTION22V8 - 188
23X-RAY DIFFRACTION23W18 - 459
24X-RAY DIFFRACTION24X8 - 188

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