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- PDB-4trr: Crystal structure of a putative Putative D-beta-hydroxybutyrate d... -

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Basic information

Entry
Database: PDB / ID: 4trr
TitleCrystal structure of a putative Putative D-beta-hydroxybutyrate dehydrogenase from Burkholderia cenocepacia J2315
ComponentsPutative D-beta-hydroxybutyrate dehydrogenase
KeywordsOXIDOREDUCTASE / SSGCID / Burkholderia cenocepacia / D-beta-hydroxybutyrate dehydrogenase / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease
Function / homology
Function and homology information


3-hydroxybutyrate dehydrogenase activity
Similarity search - Function
3-hydroxybutyrate dehydrogenase / short chain dehydrogenase / Short-chain dehydrogenase/reductase, conserved site / Short-chain dehydrogenases/reductases family signature. / Short-chain dehydrogenase/reductase SDR / NAD(P)-binding Rossmann-like Domain / NAD(P)-binding domain superfamily / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
Putative D-beta-hydroxybutyrate dehydrogenase
Similarity search - Component
Biological speciesBurkholderia cenocepacia (bacteria)
MethodX-RAY DIFFRACTION / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 1.9 Å
AuthorsSeattle Structural Genomics Center for Infectious Disease (SSGCID)
CitationJournal: to be published
Title: Crystal structure of a putative Putative D-beta-hydroxybutyrate dehydrogenase from Burkholderia cenocepacia J2315
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) / Abendroth, J. / Lukacs, C. / Lorimer, D. / Edwards, T.E.
History
DepositionJun 17, 2014Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 6, 2014Provider: repository / Type: Initial release
Revision 1.1Nov 22, 2017Group: Database references / Derived calculations ...Database references / Derived calculations / Other / Refinement description / Source and taxonomy
Category: citation / entity_src_gen ...citation / entity_src_gen / pdbx_database_related / pdbx_database_status / pdbx_struct_assembly / pdbx_struct_assembly_gen / pdbx_struct_assembly_prop / pdbx_struct_oper_list / software
Item: _citation.journal_id_CSD / _entity_src_gen.pdbx_alt_source_flag ..._citation.journal_id_CSD / _entity_src_gen.pdbx_alt_source_flag / _pdbx_database_related.content_type / _pdbx_database_status.pdb_format_compatible / _pdbx_struct_assembly.oligomeric_details / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_struct_assembly_prop.type / _pdbx_struct_assembly_prop.value / _pdbx_struct_oper_list.symmetry_operation
Revision 1.2Sep 27, 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 / refine_hist
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _refine_hist.number_atoms_total / _refine_hist.pdbx_number_atoms_nucleic_acid / _refine_hist.pdbx_number_atoms_protein

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Putative D-beta-hydroxybutyrate dehydrogenase
B: Putative D-beta-hydroxybutyrate dehydrogenase
C: Putative D-beta-hydroxybutyrate dehydrogenase
D: Putative D-beta-hydroxybutyrate dehydrogenase
E: Putative D-beta-hydroxybutyrate dehydrogenase
F: Putative D-beta-hydroxybutyrate dehydrogenase
G: Putative D-beta-hydroxybutyrate dehydrogenase
H: Putative D-beta-hydroxybutyrate dehydrogenase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)228,38118
Polymers227,5568
Non-polymers82510
Water22,3391240
1
A: Putative D-beta-hydroxybutyrate dehydrogenase
B: Putative D-beta-hydroxybutyrate dehydrogenase
C: Putative D-beta-hydroxybutyrate dehydrogenase
D: Putative D-beta-hydroxybutyrate dehydrogenase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)114,34811
Polymers113,7784
Non-polymers5707
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area13150 Å2
ΔGint-144 kcal/mol
Surface area34920 Å2
MethodPISA
2
E: Putative D-beta-hydroxybutyrate dehydrogenase
F: Putative D-beta-hydroxybutyrate dehydrogenase
G: Putative D-beta-hydroxybutyrate dehydrogenase
H: Putative D-beta-hydroxybutyrate dehydrogenase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)114,0327
Polymers113,7784
Non-polymers2543
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area12300 Å2
ΔGint-118 kcal/mol
Surface area31650 Å2
MethodPISA
Unit cell
Length a, b, c (Å)103.220, 91.950, 116.560
Angle α, β, γ (deg.)90.000, 92.940, 90.000
Int Tables number4
Space group name H-MP1211

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Components

#1: Protein
Putative D-beta-hydroxybutyrate dehydrogenase


Mass: 28444.488 Da / Num. of mol.: 8 / Fragment: ButhA.00010.z.B1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Burkholderia cenocepacia (bacteria)
Strain: ATCC BAA-245 / DSM 16553 / LMG 16656 / NCTC 13227 / J2315 / CF5610
Gene: BCAM0022 / Plasmid: BuceA.00010.z.B1 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: B4EG08
#2: Chemical
ChemComp-SO4 / SULFATE ION / Sulfate


Mass: 96.063 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: SO4
#3: Chemical
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol


Mass: 62.068 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C2H6O2
#4: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 1240 / 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: 2.43 Å3/Da / Density % sol: 49.33 %
Crystal growTemperature: 290 K / Method: vapor diffusion, sitting drop / pH: 6.5
Details: Microlytics MCSG1 screen F1: 20% PEG MME 5000, 100mM BisTris pH 6.5, cryo protected with 20% EG in two steps, then annealed in cryostream; BuceA.00010.z.B1.PS01812 at 26.7 mg/ml; tray 246271, puck tye 7-7

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: ROTATING ANODE / Type: RIGAKU MICROMAX-007 HF / Wavelength: 1.5418 Å
DetectorType: RIGAKU SATURN 944+ / Detector: CCD / Date: Jul 12, 2013
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.5418 Å / Relative weight: 1
ReflectionResolution: 1.9→50 Å / Num. obs: 168840 / % possible obs: 98.6 % / Observed criterion σ(I): -3 / Redundancy: 8.79 % / Biso Wilson estimate: 19.54 Å2 / Rmerge F obs: 0.999 / Rmerge(I) obs: 0.08 / Rrim(I) all: 0.084 / Χ2: 0.937 / Net I/av σ(I): 19.45 / Net I/σ(I): 19.45 / Num. measured all: 1483750
Reflection shell

Diffraction-ID: 1 / Rejects: 0

Resolution (Å)Highest resolution (Å)Redundancy (%)Rmerge F obsRmerge(I) obsMean I/σ(I) obsNum. measured obsNum. possibleNum. unique obsRrim(I) all% possible all
1.9-1.953.670.7580.5452.624193212655114090.63590.2
1.95-20.8580.434.15994812280116840.47995.1
2-2.060.910.3555.487117111941116100.38897.2
2.06-2.120.940.2957.027759411641115030.3298.8
2.12-2.190.9710.2279.498434911283112610.24499.8
2.19-2.270.9820.19211.528804510864108580.20599.9
2.27-2.360.9860.17712.839190710552105440.18899.9
2.36-2.450.990.15415.249845710099100920.16399.9
2.45-2.560.9930.14217.41106920977897710.14999.9
2.56-2.690.9950.12319.12101620923692280.12999.9
2.69-2.830.9960.10721.4297638885588520.112100
2.83-30.9970.08924.6492548838183680.09499.8
3-3.210.9980.07628.1187110788378750.0899.9
3.21-3.470.9980.06434.2280668735973510.06799.9
3.47-3.80.9990.05541.0472878676367570.05799.9
3.8-4.250.9990.04945.5665372611561060.05199.9
4.25-4.910.9990.04349.9957819543454290.04599.9
4.91-6.010.9990.04546.8649140458845830.04799.9
6.01-8.50.9990.0448.0438234357435640.04299.7
8.50.9990.03356.4820400202919950.03598.3

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassification
CrystalCleardata collection
XDS2.5.2data reduction
XSCALEdata scaling
PDB_EXTRACT3.14data extraction
PHASERphasing
PHENIX(phenix.refine: dev_1702)refinement
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3v2h
Resolution: 1.9→48.049 Å / SU ML: 0.21 / Cross valid method: FREE R-VALUE / σ(F): 1.99 / Phase error: 21.01 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2223 8451 5.01 %Random selection
Rwork0.183 160366 --
obs0.185 168817 98.57 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 99.65 Å2 / Biso mean: 33.2067 Å2 / Biso min: 5.97 Å2
Refinement stepCycle: final / Resolution: 1.9→48.049 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms14304 0 46 1240 15590
Biso mean--42.54 36.09 -
Num. residues----2006
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00714767
X-RAY DIFFRACTIONf_angle_d0.95720138
X-RAY DIFFRACTIONf_chiral_restr0.042420
X-RAY DIFFRACTIONf_plane_restr0.0042617
X-RAY DIFFRACTIONf_dihedral_angle_d12.3755003
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 30

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
1.9-1.92160.30672330.26184756498988
1.9216-1.94420.31022450.25454973521892
1.9442-1.96790.27312690.22255082535194
1.9679-1.99280.24682820.20895117539995
1.9928-2.01910.25752480.20845228547696
2.0191-2.04670.26342730.20825261553497
2.0467-2.0760.26323140.20895256557098
2.076-2.10690.24722800.20115332561299
2.1069-2.13990.26122740.19655395566999
2.1399-2.1750.21792880.186553575645100
2.175-2.21250.21633010.178754065707100
2.2125-2.25270.23172480.178854535701100
2.2527-2.2960.22283110.177354265737100
2.296-2.34290.2242730.170853805653100
2.3429-2.39380.20652930.169154125705100
2.3938-2.44950.20042880.168553595647100
2.4495-2.51080.21663230.179853985721100
2.5108-2.57860.2332750.175554015676100
2.5786-2.65450.21442840.175454385722100
2.6545-2.74020.2182850.1853785663100
2.7402-2.83810.24912710.183854435714100
2.8381-2.95170.22953020.186754245726100
2.9517-3.0860.2322780.186654365714100
3.086-3.24870.21952650.182954415706100
3.2487-3.45220.20352660.184754765742100
3.4522-3.71870.20173210.171753865707100
3.7187-4.09270.21992830.168254545737100
4.0927-4.68450.21153060.156954455751100
4.6845-5.90030.19772650.174455035768100
5.9003-48.0640.20233070.19765550585799
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)
10.72380.0498-0.10090.0668-0.33931.81350.04390.1361-0.2718-0.32950.0539-0.10490.33980.0862-0.04930.37690.0182-0.01140.1629-0.05660.15183.4436-13.323.4597
21.34790.40750.33342.12110.19281.76630.04950.2209-0.185-0.28510.0518-0.25340.24370.3161-0.08050.27540.04370.01510.2462-0.0770.13339.686-11.13541.7838
30.6429-0.20480.05131.90450.23350.65540.07920.3098-0.1853-0.38670.0742-0.25770.03710.3268-0.01920.36570.03810.04070.3606-0.13110.16099.6038-8.1749-5.6523
40.33670.05450.13332.87770.53130.76170.00670.1949-0.0495-0.34390.03390.0276-0.04730.02910.00240.4386-0.0236-0.01960.2294-0.02450.0559-1.7493-1.9607-6.4848
50.334-0.41980.15220.58870.07841.25380.04840.1786-0.0304-0.19450.0362-0.2674-0.06710.2711-0.04520.1995-0.0210.03670.20250.0060.105511.19735.38228.55
61.37010.59340.37221.54810.43341.0061-0.00570.20320.0663-0.32030.0282-0.0212-0.0370.1408-0.00390.2387-0.00980.00380.17470.00790.06612.87696.79354.9941
71.72580.19150.46131.01660.15791.2601-0.00710.052-0.0829-0.18370.00640.0160.0851-0.0263-0.0230.1518-0.016-0.0160.11260.00770.04011.28610.782913.7881
81.2353-0.08480.37831.63080.0581.8264-0.05030.14860.126-0.2170.0145-0.43610.01920.4786-0.01990.2302-0.01770.05050.23990.0140.11115.5896-4.32413.3525
91.53370.91430.27831.6127-0.06980.93050.01150.0392-0.0506-0.0057-0.0339-0.6694-0.16560.784-0.03980.16690.006-0.00390.4074-0.00790.296426.2638-5.370222.4921
101.54990.10640.27070.9123-0.09271.23330.02250.0724-0.179-0.11660.0002-0.06490.15890.0977-0.04060.16660.0126-0.00460.1072-0.00220.07116.2573-10.247518.2659
110.7157-0.116-0.01241.1665-0.19360.7544-0.07980.060.2487-0.03570.0334-0.0107-0.2920.00740.02550.2027-0.0138-0.02750.09830.02530.12153.494324.893620.7226
121.5114-0.1047-0.16811.233-0.110.9407-0.02690.07830.1261-0.02610.04690.3297-0.1486-0.23030.04760.13530.0406-0.01120.11970.02050.1403-8.105815.459830.0766
131.0312-0.3448-0.46961.06310.90271.35090.0982-0.130.13170.16380.0456-0.033-0.17670.1611-0.04260.45180.00990.01270.2196-0.08340.08134.040715.290556.446
140.4665-0.1692-0.18260.5172-0.19980.3971-0.0467-0.32930.14370.2940.1085-0.1371-0.00020.2195-0.01740.5397-0.0049-0.02620.3038-0.11690.1025.594511.587564.6966
150.1861-0.0752-0.0623.3060.40880.5649-0.048-0.12820.01320.430.04460.0920.08960.0156-0.00740.57720.00630.0610.2234-0.02390.0714-5.82585.336864.2131
160.27510.0970.02150.3443-0.14960.82290.0478-0.1623-0.03810.2716-0.0157-0.02470.09270.10250.02210.36570.04590.01250.1849-0.00980.01814.1972-2.962152.2539
171.3238-0.4544-0.30621.34860.01651.1438-0.06-0.14820.12370.2650.0466-0.082-0.02220.09170.02590.21390.0154-0.00490.135-0.01120.0463.97024.262745.0185
180.83190.35031.02180.710.07161.48070.12450.1535-0.02980.2103-0.1259-0.62020.2610.6409-0.02490.19410.0557-0.09150.3734-0.01980.271425.48619.022538.7002
191.56-0.4595-0.01751.0205-0.31790.8096-0.0452-0.14330.17310.210.0118-0.0962-0.03630.0817-0.00420.17670.0072-0.00230.1381-0.01450.08794.847113.497640.6243
201.0186-0.16250.26421.7132-0.14680.93810.011-0.0003-0.2372-0.1260.09430.0750.36-0.0030.01030.4376-0.00070.01750.07760.02260.2051.3564-28.97930.6302
210.30190.03370.12370.87270.24960.86340.0057-0.0107-0.2028-0.06410.0540.1530.4229-0.07330.04430.6048-0.0349-0.00260.11620.06010.2132-1.336-34.243936.8569
220.919-0.6275-0.74072.34731.38953.1318-0.0269-0.0684-0.30120.0326-0.0902-0.09720.42920.09970.03290.44430.08040.0390.16070.09480.25410.1004-31.171643.4305
230.27870.31440.20390.8302-0.24360.8304-0.0124-0.0447-0.15310.195-0.0179-0.00150.1791-0.0169-0.01430.23310.02210.02040.11180.02310.08153.3125-14.319240.1615
242.22070.22560.53461.6936-0.23231.5475-0.0415-0.0566-0.04740.0030.03060.10460.297-0.0706-0.00650.21460.00270.01370.06210.02040.05810.0819-15.48729.7291
250.4865-1.18480.66853.1203-1.40361.137-0.0636-0.1891-0.18510.22270.03630.62090.2187-0.4809-0.02380.2339-0.0510.11410.38250.11820.6683-24.1712-12.690831.3455
261.3460.10830.09091.4369-0.19521.24880.02520.0438-0.1340.02980.04760.15180.2285-0.0647-0.01610.1538-0.01910.00440.09280.01070.061-3.1385-12.141724.4252
271.1471-0.2496-0.05331.93320.10481.50420.004-0.1772-0.54910.13210.11110.20480.2349-0.0835-0.20580.32270.017-0.0170.42830.20040.677839.047227.369848.7841
282.2646-3.4301-0.34745.25110.75180.9690.1335-0.1164-0.80010.00430.01930.14770.2918-0.02-0.17140.3585-0.0237-0.00740.44310.30850.879932.040120.215549.9924
291.654-1.1060.49771.7187-0.04150.3945-0.0131-0.2389-0.25310.2540.11830.22580.0246-0.1179-0.09230.25470.03460.10010.51480.20280.760929.039234.788751.7312
300.69320.02920.31140.8437-0.05550.90090.0299-0.1197-0.33170.01240.10240.16720.0891-0.0408-0.14820.17620.0256-0.01460.30710.03430.585438.848739.600237.4762
311.5998-0.553-0.7144.3119-1.81171.34650.1560.1959-0.7791-0.38810.11410.0530.4017-0.071-0.24210.26170.0063-0.09610.385-0.11570.698450.259925.227125.3642
322.9917-2.2390.18192.3211-0.9060.9759-0.0531-0.0648-0.1786-0.02010.09870.39810.0813-0.0933-0.02440.25330.0064-0.04840.36220.09970.630149.318628.715943.6057
330.09360.0612-0.08030.77450.42130.49560.0512-0.0606-0.26870.11950.1123-0.08240.12560.0697-0.14520.23620.0667-0.09850.3358-0.07660.742152.898337.32538.3377
342.0892-0.4199-0.21741.16190.12471.40230.0161-0.27770.07640.12360.0092-0.1165-0.00370.015-0.02130.31250.0562-0.1580.3757-0.0610.981172.997329.664246.7635
353.9443-0.761-2.37520.94270.77621.56470.2298-0.53710.05160.03030.00540.34630.14370.108-0.22030.49030.0328-0.32720.5858-0.07471.063581.643329.149252.5639
360.60370.2343-0.0520.11460.03690.14330.0541-0.04120.01590.0527-0.0031-0.20550.01810.0831-0.01360.13710.0474-0.05410.3696-0.061.085778.326537.448435.019
370.61430.16580.030.08220.05930.292-0.0170.0147-0.0130.03410.0223-0.22020.04540.1119-0.08260.14090.04780.0170.2913-0.07260.822166.753638.284331.9074
380.93810.135-0.30240.7612-0.10420.13230.0051-0.27940.26370.1759-0.1578-0.1627-0.04780.05130.12260.23630.0189-0.06380.4092-0.09410.802867.18542.776144.4505
390.63941.52130.53544.68641.25650.60860.0826-0.0679-0.25410.0959-0.067-0.22940.0301-0.04840.00520.28290.0396-0.06470.3794-0.14970.730361.463155.323251.2
400.77740.1435-0.0290.67190.25880.21030.0504-0.1740.0840.09060.0339-0.3954-0.010.0279-0.00830.17970.0494-0.0660.3288-0.03060.731358.746236.885541.4967
412.4048-0.33720.05882.80050.09891.62160.0860.53660.197-0.3835-0.102-0.3339-0.20160.1754-0.02470.5433-0.02770.3650.64020.17040.976468.735262.68469.3453
420.9722-0.84410.40121.0467-0.31960.16920.13980.51430.2595-0.2345-0.0186-0.2541-0.18930.2589-0.12620.49230.07870.39570.79280.21020.950272.507860.20636.9724
431.75940.1928-0.55280.36980.0530.820.04410.26090.11450.08560.33630.3843-0.3398-0.0963-0.38160.4999-0.02620.32250.66580.1451.105880.588465.731315.7423
440.4115-0.2117-0.00370.11710.05290.31660.06990.3770.1622-0.1795-0.0136-0.2733-0.07570.1484-0.07330.23650.03470.18790.4340.02020.932969.916451.998221.5709
451.00970.28330.22831.1837-0.43990.28140.07570.5048-0.0562-0.278-0.0809-0.28950.00680.21120.01290.31590.06840.2410.48250.00090.841360.497752.053114.9264
460.2245-0.47550.19621.3583-0.36810.17610.17790.53550.1171-0.441-0.1413-0.0656-0.04960.1418-0.01210.39360.10520.19740.48090.03490.777254.599651.78310.2897
470.52150.13190.26870.40890.26730.60490.12910.4320.0707-0.1814-0.11-0.1572-0.03560.1053-0.00330.23940.04880.11510.37660.01340.698954.162654.394620.1297
481.4450.7025-0.81520.3518-0.39880.46150.02870.24970.0334-0.3397-0.05720.0497-0.0718-0.14810.02150.33680.05620.01780.3720.01660.380934.777463.746213.47
491.0866-0.7164-0.04011.33030.35851.56480.1490.14240.1827-0.24-0.0692-0.0584-0.1830.0441-0.06510.28750.08680.02640.26580.0320.5134.394867.434717.6961
500.6491-0.3265-0.10090.9778-0.35880.64410.06630.07530.002-0.177-0.01730.2036-0.0514-0.1036-0.0650.24230.0749-0.03260.3193-0.00870.476728.211661.437322.2859
510.7342-0.20750.03620.9914-0.04120.63950.11670.0009-0.0504-0.1553-0.01990.1231-0.0332-0.0087-0.03680.16980.0488-0.01150.2692-0.03110.485936.168850.835825.2253
520.84340.34540.47281.64610.30170.96030.1210.0970.1374-0.1289-0.1919-0.0354-0.0457-0.06460.05050.22550.0638-0.03740.4007-0.02610.529743.464958.999223.4162
530.9892-0.0896-1.51024.85070.40842.35880.0153-0.15770.07860.1314-0.0163-0.0893-0.2031-0.0669-0.05330.3590.0837-0.00920.5585-0.13590.664746.504474.736942.3623
541.1083-0.1190.05871.40930.28870.46980.05710.01230.173-0.0633-0.0353-0.2918-0.08570.0734-0.01470.21640.04540.0670.32810.05230.626648.97366.189626.2618
550.575-0.09170.32480.96960.37580.37380.14830.13230.0565-0.1717-0.0867-0.2305-0.0160.2039-0.0260.23040.06360.06390.3734-0.00890.600950.572955.655321.9124
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 16 )A0
2X-RAY DIFFRACTION2chain 'A' and (resid 17 through 39 )A0
3X-RAY DIFFRACTION3chain 'A' and (resid 40 through 66 )A0
4X-RAY DIFFRACTION4chain 'A' and (resid 67 through 81 )A0
5X-RAY DIFFRACTION5chain 'A' and (resid 82 through 103 )A0
6X-RAY DIFFRACTION6chain 'A' and (resid 104 through 129 )A0
7X-RAY DIFFRACTION7chain 'A' and (resid 130 through 177 )A0
8X-RAY DIFFRACTION8chain 'A' and (resid 178 through 200 )A0
9X-RAY DIFFRACTION9chain 'A' and (resid 201 through 228 )A0
10X-RAY DIFFRACTION10chain 'A' and (resid 229 through 261 )A0
11X-RAY DIFFRACTION11chain 'B' and (resid 2 through 177 )B0
12X-RAY DIFFRACTION12chain 'B' and (resid 178 through 261 )B0
13X-RAY DIFFRACTION13chain 'C' and (resid 1 through 39 )C0
14X-RAY DIFFRACTION14chain 'C' and (resid 40 through 66 )C0
15X-RAY DIFFRACTION15chain 'C' and (resid 67 through 81 )C0
16X-RAY DIFFRACTION16chain 'C' and (resid 82 through 129 )C0
17X-RAY DIFFRACTION17chain 'C' and (resid 130 through 200 )C0
18X-RAY DIFFRACTION18chain 'C' and (resid 201 through 228 )C0
19X-RAY DIFFRACTION19chain 'C' and (resid 229 through 261 )C0
20X-RAY DIFFRACTION20chain 'D' and (resid 3 through 39 )D0
21X-RAY DIFFRACTION21chain 'D' and (resid 40 through 66 )D0
22X-RAY DIFFRACTION22chain 'D' and (resid 67 through 81 )D0
23X-RAY DIFFRACTION23chain 'D' and (resid 82 through 177 )D0
24X-RAY DIFFRACTION24chain 'D' and (resid 178 through 191 )D0
25X-RAY DIFFRACTION25chain 'D' and (resid 192 through 214 )D0
26X-RAY DIFFRACTION26chain 'D' and (resid 215 through 261 )D0
27X-RAY DIFFRACTION27chain 'E' and (resid 3 through 39 )E0
28X-RAY DIFFRACTION28chain 'E' and (resid 40 through 53 )E0
29X-RAY DIFFRACTION29chain 'E' and (resid 54 through 81 )E0
30X-RAY DIFFRACTION30chain 'E' and (resid 82 through 214 )E0
31X-RAY DIFFRACTION31chain 'E' and (resid 215 through 228 )E0
32X-RAY DIFFRACTION32chain 'E' and (resid 229 through 240 )E0
33X-RAY DIFFRACTION33chain 'E' and (resid 241 through 261 )E0
34X-RAY DIFFRACTION34chain 'F' and (resid 2 through 39 )F0
35X-RAY DIFFRACTION35chain 'F' and (resid 40 through 53 )F0
36X-RAY DIFFRACTION36chain 'F' and (resid 54 through 129 )F0
37X-RAY DIFFRACTION37chain 'F' and (resid 130 through 177 )F0
38X-RAY DIFFRACTION38chain 'F' and (resid 178 through 199 )F0
39X-RAY DIFFRACTION39chain 'F' and (resid 200 through 228 )F0
40X-RAY DIFFRACTION40chain 'F' and (resid 229 through 261 )F0
41X-RAY DIFFRACTION41chain 'G' and (resid 5 through 17 )G0
42X-RAY DIFFRACTION42chain 'G' and (resid 18 through 66 )G0
43X-RAY DIFFRACTION43chain 'G' and (resid 67 through 81 )G0
44X-RAY DIFFRACTION44chain 'G' and (resid 82 through 177 )G0
45X-RAY DIFFRACTION45chain 'G' and (resid 178 through 219 )G0
46X-RAY DIFFRACTION46chain 'G' and (resid 220 through 240 )G0
47X-RAY DIFFRACTION47chain 'G' and (resid 241 through 261 )G0
48X-RAY DIFFRACTION48chain 'H' and (resid 3 through 16 )H0
49X-RAY DIFFRACTION49chain 'H' and (resid 17 through 39 )H0
50X-RAY DIFFRACTION50chain 'H' and (resid 40 through 103 )H0
51X-RAY DIFFRACTION51chain 'H' and (resid 104 through 177 )H0
52X-RAY DIFFRACTION52chain 'H' and (resid 178 through 191 )H0
53X-RAY DIFFRACTION53chain 'H' and (resid 192 through 215 )H0
54X-RAY DIFFRACTION54chain 'H' and (resid 216 through 240 )H0
55X-RAY DIFFRACTION55chain 'H' and (resid 241 through 261 )H0

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