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- PDB-4nf0: CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FR... -

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Basic information

Entry
Database: PDB / ID: 4nf0
TitleCRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM PSEUDOMONAS AERUGINOSA PAO1 (PA4616), TARGET EFI-510182, WITH BOUND L-Malate
ComponentsProbable c4-dicarboxylate-binding protein
KeywordsTRANSPORT PROTEIN / TRAP PERIPLASMIC SOLUTE BINDING FAMILY / ENZYME FUNCTION INITIATIVE / EFI / Structural Genomics
Function / homology
Function and homology information


C4-dicarboxylate transport / transmembrane transport / outer membrane-bounded periplasmic space
Similarity search - Function
TRAP transporter solute receptor, DctP family / Bacterial extracellular solute-binding protein, family 7 / TRAP transporter solute receptor DctP / TRAP transporter solute receptor DctP superfamily / Bacterial extracellular solute-binding protein, family 7 / D-Maltodextrin-Binding Protein; domain 2 / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
(2S)-2-hydroxybutanedioic acid / Probable c4-dicarboxylate-binding protein
Similarity search - Component
Biological speciesPseudomonas aeruginosa (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.85 Å
AuthorsVetting, M.W. / Patskovsky, Y. / Al Obaidi, N.F. / Morisco, L.L. / Wasserman, S.R. / Sojitra, S. / Stead, M. / Attonito, J.D. / Scott Glenn, A. / Chowdhury, S. ...Vetting, M.W. / Patskovsky, Y. / Al Obaidi, N.F. / Morisco, L.L. / Wasserman, S.R. / Sojitra, S. / Stead, M. / Attonito, J.D. / Scott Glenn, A. / Chowdhury, S. / Evans, B. / Hillerich, B. / Love, J. / Seidel, R.D. / Imker, H.J. / Gerlt, J.A. / Almo, S.C. / Enzyme Function Initiative (EFI)
CitationJournal: Biochemistry / Year: 2015
Title: Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Authors: Vetting, M.W. / Al-Obaidi, N. / Zhao, S. / San Francisco, B. / Kim, J. / Wichelecki, D.J. / Bouvier, J.T. / Solbiati, J.O. / Vu, H. / Zhang, X. / Rodionov, D.A. / Love, J.D. / Hillerich, B.S. ...Authors: Vetting, M.W. / Al-Obaidi, N. / Zhao, S. / San Francisco, B. / Kim, J. / Wichelecki, D.J. / Bouvier, J.T. / Solbiati, J.O. / Vu, H. / Zhang, X. / Rodionov, D.A. / Love, J.D. / Hillerich, B.S. / Seidel, R.D. / Quinn, R.J. / Osterman, A.L. / Cronan, J.E. / Jacobson, M.P. / Gerlt, J.A. / Almo, S.C.
History
DepositionOct 30, 2013Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 20, 2013Provider: repository / Type: Initial release
Revision 1.1Feb 25, 2015Group: Database references
Revision 1.2Sep 20, 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 / 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 / _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: Probable c4-dicarboxylate-binding protein
B: Probable c4-dicarboxylate-binding protein
C: Probable c4-dicarboxylate-binding protein
D: Probable c4-dicarboxylate-binding protein
E: Probable c4-dicarboxylate-binding protein
F: Probable c4-dicarboxylate-binding protein
G: Probable c4-dicarboxylate-binding protein
H: Probable c4-dicarboxylate-binding protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)304,50921
Polymers302,9948
Non-polymers1,51513
Water29,7971654
1
A: Probable c4-dicarboxylate-binding protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)38,0082
Polymers37,8741
Non-polymers1341
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
2
B: Probable c4-dicarboxylate-binding protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)38,2004
Polymers37,8741
Non-polymers3263
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
3
C: Probable c4-dicarboxylate-binding protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)38,1043
Polymers37,8741
Non-polymers2302
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
4
D: Probable c4-dicarboxylate-binding protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)38,2004
Polymers37,8741
Non-polymers3263
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
5
E: Probable c4-dicarboxylate-binding protein


Theoretical massNumber of molelcules
Total (without water)37,8741
Polymers37,8741
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
6
F: Probable c4-dicarboxylate-binding protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)38,1043
Polymers37,8741
Non-polymers2302
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
7
G: Probable c4-dicarboxylate-binding protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)38,0082
Polymers37,8741
Non-polymers1341
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
8
H: Probable c4-dicarboxylate-binding protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)38,0082
Polymers37,8741
Non-polymers1341
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
Unit cell
Length a, b, c (Å)71.959, 73.910, 122.140
Angle α, β, γ (deg.)99.010, 91.590, 95.090
Int Tables number1
Space group name H-MP1
DetailsThe authors have indicated that the biological unit is unknown

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Components

#1: Protein
Probable c4-dicarboxylate-binding protein


Mass: 37874.230 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Pseudomonas aeruginosa (bacteria) / Strain: PAO1 / Gene: PA4616 / Plasmid: pET / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q9HVH5
#2: Chemical
ChemComp-LMR / (2S)-2-hydroxybutanedioic acid / L-Malate / Malic acid


Mass: 134.087 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C4H6O5
#3: Chemical
ChemComp-SO4 / SULFATE ION / Sulfate


Mass: 96.063 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: SO4
#4: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 1654 / 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: 2.11 Å3/Da / Density % sol: 41.63 %
Crystal growTemperature: 298 K / Method: sitting drop vapor diffusion / pH: 7.5
Details: Protein (10 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 10 mM DL-Malate); Reservoir (0.2 M Ammonium Sulfate, 22%(w/v) PEG 4000, 0.1 M Sodium Acetate); Cryoprotection (20% ethylene glycol, 80% 2.0 M ...Details: Protein (10 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 10 mM DL-Malate); Reservoir (0.2 M Ammonium Sulfate, 22%(w/v) PEG 4000, 0.1 M Sodium Acetate); Cryoprotection (20% ethylene glycol, 80% 2.0 M reservoir), sitting drop vapor diffusion, temperature 298K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 31-ID / Wavelength: 0.9793 Å
DetectorType: RAYONIX MX225HE / Detector: CCD / Date: Aug 12, 2013 / Details: MIRRORS
RadiationMonochromator: GRAPHITE / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9793 Å / Relative weight: 1
ReflectionResolution: 1.85→120.525 Å / Num. all: 204171 / Num. obs: 204171 / % possible obs: 96.7 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 4.1 % / Biso Wilson estimate: 22.62 Å2 / Rmerge(I) obs: 0.075 / Rsym value: 0.075 / Net I/σ(I): 5.4
Reflection shellResolution: 1.85→1.87 Å / Redundancy: 3.9 % / Rmerge(I) obs: 0.73 / Mean I/σ(I) obs: 4.2 / Num. unique all: 38804 / Rsym value: 0.73 / % possible all: 95.3

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Processing

Software
NameVersionClassificationNB
SCALA0.1.27data scaling
PHENIX1.8.4_1496refinement
PDB_EXTRACT3.11data extraction
MOSFLMdata reduction
AMoREphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: pdb entry 4MX6

4mx6


Resolution: 1.85→33.563 Å / Occupancy max: 1 / Occupancy min: 0.45 / FOM work R set: 0.8228 / SU ML: 0.21 / σ(F): 0 / σ(I): 0 / Phase error: 25.29 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2391 10206 5.03 %RANDOM
Rwork0.1947 ---
obs0.1969 202871 96.08 %-
all-202871 --
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 99 Å2 / Biso mean: 31.6144 Å2 / Biso min: 8.36 Å2
Refinement stepCycle: LAST / Resolution: 1.85→33.563 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms17411 0 93 1654 19158
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00717844
X-RAY DIFFRACTIONf_angle_d1.04124116
X-RAY DIFFRACTIONf_chiral_restr0.0432700
X-RAY DIFFRACTIONf_plane_restr0.0063085
X-RAY DIFFRACTIONf_dihedral_angle_d13.7956622
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 (%)
1.85-1.8710.32643360.27526180651693
1.871-1.8930.33033510.26956320667193
1.893-1.91610.31843210.25886171649294
1.9161-1.94040.30253260.25166369669594
1.9404-1.96590.29993290.24266258658795
1.9659-1.99280.30343240.24236380670495
1.9928-2.02130.3063360.22686300663695
2.0213-2.05150.26863220.21956460678295
2.0515-2.08350.26593350.21756274660995
2.0835-2.11770.2563640.21116441680596
2.1177-2.15420.26953470.20496321666896
2.1542-2.19330.26283350.19946466680196
2.1933-2.23550.23843230.19486456677996
2.2355-2.28110.23683470.19126362670996
2.2811-2.33070.23893490.19816457680696
2.3307-2.38490.24373560.19416432678896
2.3849-2.44460.25573220.18936429675196
2.4446-2.51060.23513360.18236439677597
2.5106-2.58450.24813570.19386483684097
2.5845-2.66790.29373300.20256513684397
2.6679-2.76320.25423520.19866439679197
2.7632-2.87370.26543550.216501685697
2.8737-3.00450.24123310.20186501683297
3.0045-3.16280.2463290.20246571690098
3.1628-3.36070.24763640.19426498686298
3.3607-3.61990.20373640.18136540690498
3.6199-3.98370.20973560.17096554691098
3.9837-4.55890.1933470.1616535688298
4.5589-5.73910.19353210.16726608692998
5.7391-33.56870.22093410.19836407674896
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)
10.79230.20250.37750.55030.12051.65170.0456-0.0690.03070.10270.1174-0.30010.010.4245-0.07590.33220.0633-0.03570.4528-0.00730.1798.09777.492540.9694
20.6337-0.16-0.19990.73610.03160.6345-0.0538-0.20480.03730.19020.042-0.03780.13360.1607-00.52570.0280.01750.42810.03530.1543-0.39314.637746.0065
30.2825-0.21390.36230.48440.010.7185-0.0473-0.08180.07890.0521-0.03910.0625-0.0398-0.20890.02790.27020.01760.0670.30160.03180.1497-10.629815.540630.6007
40.92750.1156-0.24552.15030.14892.7508-0.0059-0.01280.2809-0.0295-0.0786-0.1795-0.34830.20180.01120.4165-0.04150.07230.26170.00770.2672-3.523225.077732.1819
53.0081-0.1092-2.14641.08690.08572.84570.0473-0.05810.1140.1312-0.02630.0784-0.0998-0.0556-0.05830.352-0.01030.03120.3112-0.05550.1478-6.204517.129941.3004
60.652-0.11730.23120.4898-0.30770.94280.02020.13520.0217-0.0534-0.06720.0853-0.0969-0.02440.03990.19820.00430.02820.27540.01070.1178-9.11095.766612.6532
70.81730.11550.20970.74851.02941.48460.0276-0.095-0.01760.1281-0.05590.196-0.072-0.28440.00250.2004-0.03530.05880.33560.01050.167-16.65965.234822.3707
80.63050.06630.23420.65060.00510.697-0.0107-0.0661-0.20520.18770.03030.10220.1412-0.0874-0.00580.2381-0.03540.06110.24330.01570.1598-6.6197-1.747823.3318
90.22180.05070.03590.34020.32161.2209-0.0069-0.0788-0.02350.21150.1003-0.08570.0592-0.0478-0.05180.2938-0.00490.02310.25610.00270.1275-2.93378.32830.7989
100.6363-0.0059-0.08140.90090.81762.63620.0542-0.20610.22850.1515-0.0913-0.2244-0.18240.23590.06170.2571-0.0861-0.00750.264-0.01240.21287.726313.59532.6756
111.0426-0.0795-0.40560.41140.14821.09860.0322-0.14320.2213-0.0280.11190.0826-0.2341-0.2912-0.10160.24780.06070.04110.31360.00980.2203-11.726114.701614.3113
120.83740.1730.38383.3286-0.0760.56340.025-0.018-0.36120.22220.04270.02140.3180.00370.02930.29840.0898-0.03130.18780.04890.294610.6662-33.5154-12.6546
130.5474-0.44480.05370.73630.40450.70360.160.1425-0.35890.23390.101-0.00380.29040.438-0.00320.22820.1282-0.08220.19710.02050.418714.7326-32.7029-15.2128
140.465-0.18890.09730.8481-0.16630.6247-0.00080.1976-0.1669-0.15320.083-0.0732-0.03590.1291-0.05980.12570.0465-0.01960.2613-0.04190.181711.3931-19.1838-28.3449
151.4973-0.4240.73582.03350.30281.75230.06940.3275-0.2207-0.2163-0.10450.23620.1745-0.11140.04050.19090.0692-0.10930.3163-0.12890.30111.897-24.8277-32.6939
160.7505-0.09490.08721.14550.20180.8606-0.00630.1757-0.0557-0.08650.1017-0.09220.00070.2246-0.04710.1170.0096-0.02390.1605-0.05020.2149.3418-15.0264-22.3666
170.93610.2837-0.21021.13080.48771.0163-0.0535-0.07240.2888-0.00610.0918-0.3343-0.08740.3299-0.00390.1092-0.0067-0.02230.21470.00340.245917.3285-9.0254-17.4559
180.6186-0.2606-0.11730.84950.12250.62870.0231-0.0251-0.14630.05350.1337-0.00390.15290.3232-0.09510.12440.0511-0.0410.1596-0.02640.22978.8899-19.9996-16.9091
190.2953-0.2419-0.18392.22421.07841.14540.03590.0462-0.48030.03090.05610.12280.1727-0.0668-0.02120.1579-0.0103-0.04070.1865-0.06220.3588-1.3535-25.4069-15.9307
201.1739-0.337-0.4710.8383-0.00431.17830.040.36520.1788-0.2115-0.0915-0.0678-0.08890.08690.06830.2102-0.01920.00230.26750.04430.17815.4017-4.252-26.4431
210.8491-0.13160.20230.7020.35271.51920.21610.2274-0.2747-0.40090.04350.2157-0.01710.1234-0.13540.25510.0321-0.09250.13460.02210.2663-26.2416-8.8091-32.6472
220.3265-0.04990.09770.4153-0.04080.1250.20980.063-0.3087-0.22210.17930.4970.0815-0.13480.1532-0.03190.326-0.3012-0.22190.33050.2643-35.8019-7.2955-29.1211
230.40870.10980.01140.5206-0.10260.74740.1494-0.1864-0.3811-0.17540.18030.26160.4450.0253-0.02010.1078-0.082-0.09640.04460.12420.4333-28.6426-20.9074-16.1614
240.787-0.02950.15120.7624-0.02360.7650.0188-0.1705-0.04730.06510.09560.2895-0.0911-0.0104-0.05160.10330.01080.00850.12620.03530.2064-23.3094-6.096-8.6075
251.68610.86181.14351.11240.91821.66480.1020.1231-0.2434-0.3746-0.06870.32370.0750.0236-0.11850.21730.0333-0.11970.1223-0.03390.3184-18.7384-13.7418-26.8581
261.19870.3570.00840.2160.21650.44070.0241-0.1782-0.2050.10040.130.1620.1053-0.0798-0.10150.1604-0.01230.00850.19350.08970.2437-16.8898-16.2604-0.6492
270.7223-0.1434-0.03331.85870.33081.06970.03350.06160.16990.00980.04120.3659-0.2708-0.2187-0.07220.22590.0310.02090.14740.00630.158711.298136.18255.0842
280.75330.24720.211.72110.70211.3442-0.07070.10380.2416-0.0899-0.06390.0569-0.25270.04910.12020.3157-0.01360.01840.13690.03190.177919.500538.0577-0.9092
290.5614-0.18810.29011.229-0.17190.5895-0.0501-0.00710.01190.04020.0776-0.2659-0.02890.1029-0.02960.1725-0.0233-0.00440.182-0.01240.161727.59420.76699.2648
301.29920.4560.64072.44370.11112.4977-0.029-0.380.15980.3921-0.1692-0.0677-0.06750.13080.07990.3052-0.0151-0.07320.2153-0.02730.141924.996925.466819.7865
310.60560.05580.07640.85650.13540.7648-0.05660.0996-0.1461-0.05710.0524-0.13510.07420.1110.00970.1659-0.01910.02610.1588-0.02760.149422.513713.37771.5171
320.69240.2950.01081.3862-0.03460.4828-0.00850.0696-0.00880.00670.02170.0191-0.1415-0.0278-0.01360.1532-0.01130.01510.1163-0.00450.089516.943921.94064.343
330.91251.22290.39533.14960.72230.5353-0.013-0.05020.14910.17410.05910.1327-0.30890.0457-0.04010.2761-0.01990.04230.1748-0.03250.139311.146529.272812.5235
341.42210.2606-0.15691.0388-0.23670.7957-0.0291-0.1273-0.14980.0898-0.0242-0.27090.10160.22270.06470.20620.0038-0.01050.19760.03090.243822.01094.529211.5635
350.68390.00340.11690.4178-0.10740.7292-0.13030.241-0.3801-0.27050.08520.0316-0.1076-0.40160.03320.34290.0323-0.00460.8095-0.28410.70296.6803-3.7179-78.8583
360.43050.13640.0580.65460.26950.6087-0.38370.3545-0.8857-0.2127-0.51571.0206-0.0144-0.5329-0.21260.09820.04920.13830.5169-0.38850.780615.96360.8221-69.0163
371.8332-0.61590.17530.2931-0.43111.9301-0.2834-0.3131-0.510.1628-0.13050.02180.34460.10540.15490.26080.07640.18370.29350.03520.401227.2052-2.1968-58.9746
380.8232-0.09930.26271.27240.070.7647-0.1318-0.04050.2062-0.28110.0902-0.0929-0.3811-0.11040.04650.35560.0035-0.01770.1891-0.01770.172256.390741.0003-55.9703
391.60571.18790.37623.1416-0.14092.19210.0411-0.4060.13760.3685-0.14-0.151-0.03070.19010.04670.31270.0372-0.04510.2622-0.05320.212163.807134.9887-40.8432
400.77120.2630.02121.14790.16090.7521-0.09060.1164-0.054-0.02610.1436-0.1509-0.06470.0734-0.00730.2044-0.03610.01620.1804-0.01950.130959.589425.5721-53.1267
410.97370.10010.2221.08940.28270.8559-0.06120.2823-0.1254-0.44760.1503-0.23550.03520.0233-0.04870.2816-0.05440.07030.2342-0.03640.159161.279320.1418-62.7556
420.5931-0.03860.03530.89530.12890.664-0.07930.12930.0222-0.30210.00040.0409-0.0979-0.0610.07990.2228-0.03650.02110.1807-0.02030.103754.694228.7675-56.7932
430.99451.4040.50293.79790.91750.9486-0.0772-0.14130.270.21730.02110.1016-0.2579-0.0190.04030.3080.0209-0.03680.2884-0.06880.235948.998137.9782-47.171
441.57990.1711-0.0671.1456-0.32750.8846-0.0289-0.1594-0.1660.0489-0.0141-0.27910.03260.13710.04010.17030.0019-0.00430.2274-0.03150.236760.113413.4823-48.2079
451.48260.40450.78830.95260.41952.29820.1024-0.102-0.03830.1913-0.0223-0.38250.08860.2587-0.03810.23350.0168-0.06330.18430.0180.225947.962419.2007-18.5156
460.6698-0.09770.27310.583-0.02460.69790.0447-0.22280.04250.1817-0.0003-0.08170.048-0.171-0.06060.24760.00070.01050.14640.02530.143934.599221.1236-20.0347
471.7928-0.4234-0.68432.93721.32133.8280.03280.05160.2783-0.0850.0288-0.0585-0.39410.0853-0.05010.3196-0.0063-0.0080.12860.01060.251535.399535.5846-28.5423
480.7758-0.15010.04920.69010.11170.81430.0493-0.011-0.04990.0664-0.02450.0364-0.0668-0.1038-0.00160.1364-0.00680.01630.08810.03530.130530.673516.2181-32.5997
490.56120.29920.52051.63791.76293.3541-0.01210.03270.1850.1470.0511-0.2861-0.21490.28030.04470.2012-0.0531-0.0270.18550.01440.248747.061924.2499-27.5516
500.86210.0391-0.01960.3817-0.4671.20920.03520.16730.1601-0.1836-0.02550.2595-0.3103-0.1263-0.03190.24170.0385-0.03260.18030.02850.269127.455922.2099-46.2922
510.4061-0.17350.19770.923-0.29880.91480.20470.1042-0.1770.07420.32750.04230.52160.7027-0.00390.37370.1669-0.17910.549-0.20580.244745.7866-16.7534-81.8043
520.53480.16780.35390.40270.05461.20.2180.08650.0225-0.21960.2425-0.3232-0.14531.2004-0.07650.1833-0.15560.03510.6724-0.26450.292649.9806-2.1022-78.2116
530.7282-0.19950.0970.81510.22691.06730.10940.1758-0.0787-0.27760.18950.13940.08940.5805-0.18050.27120.0113-0.03320.3324-0.11620.195840.8539-7.7021-77.8098
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 28 through 57 )A0
2X-RAY DIFFRACTION2chain 'A' and (resid 58 through 89 )A0
3X-RAY DIFFRACTION3chain 'A' and (resid 90 through 115 )A0
4X-RAY DIFFRACTION4chain 'A' and (resid 116 through 133 )A0
5X-RAY DIFFRACTION5chain 'A' and (resid 134 through 147 )A0
6X-RAY DIFFRACTION6chain 'A' and (resid 148 through 165 )A0
7X-RAY DIFFRACTION7chain 'A' and (resid 166 through 193 )A0
8X-RAY DIFFRACTION8chain 'A' and (resid 194 through 219 )A0
9X-RAY DIFFRACTION9chain 'A' and (resid 220 through 251 )A0
10X-RAY DIFFRACTION10chain 'A' and (resid 252 through 287 )A0
11X-RAY DIFFRACTION11chain 'A' and (resid 288 through 318 )A0
12X-RAY DIFFRACTION12chain 'B' and (resid 28 through 41 )B0
13X-RAY DIFFRACTION13chain 'B' and (resid 42 through 89 )B0
14X-RAY DIFFRACTION14chain 'B' and (resid 90 through 115 )B0
15X-RAY DIFFRACTION15chain 'B' and (resid 116 through 133 )B0
16X-RAY DIFFRACTION16chain 'B' and (resid 134 through 165 )B0
17X-RAY DIFFRACTION17chain 'B' and (resid 166 through 212 )B0
18X-RAY DIFFRACTION18chain 'B' and (resid 213 through 255 )B0
19X-RAY DIFFRACTION19chain 'B' and (resid 256 through 287 )B0
20X-RAY DIFFRACTION20chain 'B' and (resid 288 through 318 )B0
21X-RAY DIFFRACTION21chain 'C' and (resid 28 through 57 )C0
22X-RAY DIFFRACTION22chain 'C' and (resid 58 through 89 )C0
23X-RAY DIFFRACTION23chain 'C' and (resid 90 through 147 )C0
24X-RAY DIFFRACTION24chain 'C' and (resid 148 through 251 )C0
25X-RAY DIFFRACTION25chain 'C' and (resid 252 through 287 )C0
26X-RAY DIFFRACTION26chain 'C' and (resid 288 through 318 )C0
27X-RAY DIFFRACTION27chain 'D' and (resid 28 through 57 )D0
28X-RAY DIFFRACTION28chain 'D' and (resid 58 through 89 )D0
29X-RAY DIFFRACTION29chain 'D' and (resid 90 through 115 )D0
30X-RAY DIFFRACTION30chain 'D' and (resid 116 through 133 )D0
31X-RAY DIFFRACTION31chain 'D' and (resid 134 through 212 )D0
32X-RAY DIFFRACTION32chain 'D' and (resid 213 through 251 )D0
33X-RAY DIFFRACTION33chain 'D' and (resid 252 through 287 )D0
34X-RAY DIFFRACTION34chain 'D' and (resid 288 through 316 )D0
35X-RAY DIFFRACTION35chain 'E' and (resid 31 through 140 )E0
36X-RAY DIFFRACTION36chain 'E' and (resid 141 through 287 )E0
37X-RAY DIFFRACTION37chain 'E' and (resid 288 through 306 )E0
38X-RAY DIFFRACTION38chain 'F' and (resid 28 through 115 )F0
39X-RAY DIFFRACTION39chain 'F' and (resid 116 through 133 )F0
40X-RAY DIFFRACTION40chain 'F' and (resid 134 through 165 )F0
41X-RAY DIFFRACTION41chain 'F' and (resid 166 through 203 )F0
42X-RAY DIFFRACTION42chain 'F' and (resid 204 through 251 )F0
43X-RAY DIFFRACTION43chain 'F' and (resid 252 through 287 )F0
44X-RAY DIFFRACTION44chain 'F' and (resid 288 through 315 )F0
45X-RAY DIFFRACTION45chain 'G' and (resid 28 through 57 )G0
46X-RAY DIFFRACTION46chain 'G' and (resid 58 through 115 )G0
47X-RAY DIFFRACTION47chain 'G' and (resid 116 through 133 )G0
48X-RAY DIFFRACTION48chain 'G' and (resid 134 through 251 )G0
49X-RAY DIFFRACTION49chain 'G' and (resid 252 through 287 )G0
50X-RAY DIFFRACTION50chain 'G' and (resid 288 through 314 )G0
51X-RAY DIFFRACTION51chain 'H' and (resid 33 through 133 )H0
52X-RAY DIFFRACTION52chain 'H' and (resid 134 through 212 )H0
53X-RAY DIFFRACTION53chain 'H' and (resid 213 through 316 )H0

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