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- PDB-1tw9: Glutathione Transferase-2, apo form, from the nematode Heligmosom... -

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Basic information

Entry
Database: PDB / ID: 1tw9
TitleGlutathione Transferase-2, apo form, from the nematode Heligmosomoides polygyrus
Componentsglutathione S-transferase 2
KeywordsTRANSFERASE
Function / homology
Function and homology information


glutathione peroxidase activity / glutathione transferase / glutathione transferase activity / glutathione metabolic process / cytoplasm
Similarity search - Function
Glutathione S-transferase, C-terminal domain / : / Glutathione S-transferase, N-terminal domain / Glutathione S-transferase Yfyf (Class Pi); Chain A, domain 2 - #10 / Glutathione S-transferase, C-terminal / Glutathione S-transferase Yfyf (Class Pi); Chain A, domain 2 / Glutathione S-transferase, C-terminal-like / Soluble glutathione S-transferase C-terminal domain profile. / Soluble glutathione S-transferase N-terminal domain profile. / Glutathione S-transferase, N-terminal ...Glutathione S-transferase, C-terminal domain / : / Glutathione S-transferase, N-terminal domain / Glutathione S-transferase Yfyf (Class Pi); Chain A, domain 2 - #10 / Glutathione S-transferase, C-terminal / Glutathione S-transferase Yfyf (Class Pi); Chain A, domain 2 / Glutathione S-transferase, C-terminal-like / Soluble glutathione S-transferase C-terminal domain profile. / Soluble glutathione S-transferase N-terminal domain profile. / Glutathione S-transferase, N-terminal / Glutathione S-transferase, C-terminal domain superfamily / Glutaredoxin / Glutaredoxin / Thioredoxin-like superfamily / Up-down Bundle / 3-Layer(aba) Sandwich / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
glutathione transferase
Similarity search - Component
Biological speciesHeligmosomoides polygyrus (invertebrata)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.71 Å
AuthorsSchuller, D.J. / Liu, Q. / Kriksunov, I.A. / Campbell, A.M. / Barrett, J. / Brophy, P.M. / Hao, Q.
Citation
Journal: Proteins / Year: 2005
Title: Crystal structure of a new class of glutathione transferase from the model human hookworm nematode Heligmosomoides polygyrus.
Authors: Schuller, D.J. / Liu, Q. / Kriksunov, I.A. / Campbell, A.M. / Barrett, J. / Brophy, P.M. / Hao, Q.
#1: Journal: Acta Crystallogr.,Sect.D / Year: 2003
Title: Crystallization and preliminary crystallographic analysis of a new class of glutathione transferase from nematodes
Authors: Kriksunov, I.A. / Schuller, D.J. / Campbell, A.M. / Barrett, J. / Brophy, P.M. / Hao, Q.
History
DepositionJun 30, 2004Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 3, 2004Provider: repository / Type: Initial release
Revision 1.1May 5, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Advisory / Version format compliance
Revision 1.3Aug 23, 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 / struct_ref_seq_dif
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: glutathione S-transferase 2
B: glutathione S-transferase 2
C: glutathione S-transferase 2
D: glutathione S-transferase 2
E: glutathione S-transferase 2
F: glutathione S-transferase 2
G: glutathione S-transferase 2
H: glutathione S-transferase 2


Theoretical massNumber of molelcules
Total (without water)187,3358
Polymers187,3358
Non-polymers00
Water33,5081860
1
A: glutathione S-transferase 2
B: glutathione S-transferase 2


Theoretical massNumber of molelcules
Total (without water)46,8342
Polymers46,8342
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2180 Å2
ΔGint-15 kcal/mol
Surface area17620 Å2
MethodPISA
2
C: glutathione S-transferase 2
D: glutathione S-transferase 2


Theoretical massNumber of molelcules
Total (without water)46,8342
Polymers46,8342
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2230 Å2
ΔGint-15 kcal/mol
Surface area17980 Å2
MethodPISA
3
E: glutathione S-transferase 2
F: glutathione S-transferase 2


Theoretical massNumber of molelcules
Total (without water)46,8342
Polymers46,8342
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2170 Å2
ΔGint-16 kcal/mol
Surface area18280 Å2
MethodPISA
4
G: glutathione S-transferase 2
H: glutathione S-transferase 2


Theoretical massNumber of molelcules
Total (without water)46,8342
Polymers46,8342
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2240 Å2
ΔGint-15 kcal/mol
Surface area17710 Å2
MethodPISA
Unit cell
Length a, b, c (Å)72.678, 74.034, 88.573
Angle α, β, γ (deg.)79.09, 80.08, 81.55
Int Tables number1
Space group name H-MP1

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Components

#1: Protein
glutathione S-transferase 2


Mass: 23416.828 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Heligmosomoides polygyrus (invertebrata)
Plasmid: pET23d / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 DE3 pLysS / References: UniProt: Q9NJQ6
#2: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 1860 / 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: 2.64 Å3/Da / Density % sol: 41.2 %
Crystal growTemperature: 292 K / Method: vapor diffusion, hanging drop / pH: 8.5
Details: PEG 20K, calcium chloride, Tris-HCL, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: CHESS / Beamline: A1 / Wavelength: 0.947 Å
DetectorType: ADSC QUANTUM 210 / Detector: CCD / Date: Oct 7, 2002 / Details: Rh-coated Si monochromatic mirrors
RadiationMonochromator: Rh-coated Si monochromatic mirrors / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.947 Å / Relative weight: 1
ReflectionResolution: 1.7→25 Å / Num. all: 184048 / Num. obs: 184048 / % possible obs: 95.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 6.2 % / Biso Wilson estimate: 26.3 Å2 / Rmerge(I) obs: 0.067 / Net I/σ(I): 12.6
Reflection shellResolution: 1.7→1.76 Å / Redundancy: 2.8 % / Rmerge(I) obs: 0.394 / Mean I/σ(I) obs: 2 / Num. unique all: 15605 / % possible all: 81.4

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Processing

Software
NameVersionClassification
REFMAC5.1.9999refinement
DENZOdata reduction
SCALEPACKdata scaling
BEASTphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: pdb entry 1PD2 (Prostaglandin D synthase)

1pd2


Resolution: 1.71→25 Å / Cor.coef. Fo:Fc: 0.965 / Cor.coef. Fo:Fc free: 0.94 / SU B: 4.616 / SU ML: 0.083 / TLS residual ADP flag: LIKELY RESIDUAL / Isotropic thermal model: isotropic + TLS / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / ESU R: 0.107 / ESU R Free: 0.114 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.23198 4568 2.5 %RANDOM
Rwork0.18002 ---
obs0.18132 179478 95.22 %-
all-184047 --
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK
Displacement parametersBiso mean: 29.053 Å2
Baniso -1Baniso -2Baniso -3
1--1.2 Å20.77 Å21.04 Å2
2---0.8 Å2-1.91 Å2
3---2.14 Å2
Refinement stepCycle: LAST / Resolution: 1.71→25 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12394 0 0 1860 14254
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0190.02212695
X-RAY DIFFRACTIONr_bond_other_d0.0020.0211550
X-RAY DIFFRACTIONr_angle_refined_deg1.7981.94517172
X-RAY DIFFRACTIONr_angle_other_deg1326861
X-RAY DIFFRACTIONr_dihedral_angle_1_deg5.69651521
X-RAY DIFFRACTIONr_dihedral_angle_2_deg29.31123.616589
X-RAY DIFFRACTIONr_dihedral_angle_3_deg16.876152165
X-RAY DIFFRACTIONr_dihedral_angle_4_deg17.6221580
X-RAY DIFFRACTIONr_chiral_restr0.1440.21878
X-RAY DIFFRACTIONr_gen_planes_refined0.0090.0213959
X-RAY DIFFRACTIONr_gen_planes_other0.0010.022709
X-RAY DIFFRACTIONr_nbd_refined0.2340.23061
X-RAY DIFFRACTIONr_nbd_other0.1990.212056
X-RAY DIFFRACTIONr_nbtor_other0.0930.27023
X-RAY DIFFRACTIONr_xyhbond_nbd_refined0.2420.21278
X-RAY DIFFRACTIONr_xyhbond_nbd_other0.0280.21
X-RAY DIFFRACTIONr_symmetry_vdw_refined0.2260.233
X-RAY DIFFRACTIONr_symmetry_vdw_other0.2960.2102
X-RAY DIFFRACTIONr_symmetry_hbond_refined0.2150.2118
X-RAY DIFFRACTIONr_mcbond_it1.0951.58295
X-RAY DIFFRACTIONr_mcbond_other0.3521.53111
X-RAY DIFFRACTIONr_mcangle_it1.393212452
X-RAY DIFFRACTIONr_scbond_it2.44535506
X-RAY DIFFRACTIONr_scangle_it3.374.54720
LS refinement shellResolution: 1.71→1.75 Å / Total num. of bins used: 20 /
RfactorNum. reflection
Rfree0.301 232
Rwork0.23 9501
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)
12.10040.1025-0.44673.8064-0.1261.1742-0.0621-0.1383-0.14950.18750.00970.11460.1136-0.04640.0524-0.1492-0.01310.0053-0.17110.0228-0.187-2.6637-19.39670.8309
24.6185-3.85110.168415.13560.66730.5620.0019-0.0195-1.00760.41680.05620.83790.523-0.3272-0.0581-0.0413-0.07180.0282-0.03890.05170.151-16.7151-27.97891.7345
33.42672.62541.857410.69545.12825.6207-0.14170.12950.0554-0.0595-0.00570.33680.0285-0.11890.1474-0.18340.0022-0.0167-0.16370.0343-0.2241-1.9232-8.1019-14.0705
414.72325.7057-7.463710.37989.482622.53090.16990.5696-0.8902-1.13540.12490.69611.84310.0218-0.29480.0616-0.1268-0.01240.0561-0.08030.0995-9.3213-21.6603-20.6515
57.74816.87750.85227.00032.47813.40350.0540.2576-1.0076-1.1213-0.012-0.60420.7514-0.2068-0.0420.2773-0.0979-0.07240.2477-0.06850.2521-8.0525-30.145-29.0008
62.53170.60422.04253.85172.87247.993-0.05430.25410.0888-0.4238-0.04870.0826-0.1858-0.10570.1031-0.0969-0.0150.018-0.09890.009-0.1943.3342-13.2131-22.8786
71.5860.2276-0.74866.69494.11694.9789-0.11120.1321-0.3259-0.0414-0.00760.04090.2576-0.18650.1189-0.131-0.02580.0016-0.17020.0194-0.1872.6322-21.0155-14.649
80.49320.1817-0.45361.0269-0.96163.5036-0.05680.0978-0.2379-0.10610.0222-0.18010.31850.21230.0346-0.1021-0.00510.006-0.1257-0.011-0.11457.5397-25.0159-14.0433
91.8838-0.14830.07571.76220.20572.7784-0.0520.13330.1819-0.2437-0.00220.3137-0.1998-0.2140.0542-0.11820.0041-0.0954-0.11710.0552-0.0889-11.20474.0533-15.268
106.0711-5.15372.75745.9034-1.3251.92730.31190.96360.0019-0.7659-0.35270.5855-0.059-0.17950.04070.1231-0.024-0.12180.18030.0235-0.0678-10.9359-2.7774-30.375
118.19962.51714.9385.3761.54016.32330.03340.2093-0.00580.06660.0140.26430.1336-0.0993-0.0474-0.2199-0.00190.0255-0.15380.0152-0.1275-13.5121-9.0599-2.2238
1223.18615.71318.445611.0267-1.01214.0709-0.0780.3474-0.1998-0.67480.3120.7902-0.0042-1.0173-0.2340.1763-0.0109-0.05160.1554-0.06990.1284-23.5048-16.1036-15.1903
1323.4789-19.9166-14.273561.655818.511325.54030.50840.2954-0.6872-1.8471-0.29560.1195-0.2437-1.4479-0.21280.2588-0.0782-0.15240.317-0.02370.3015-32.9906-17.6511-15.2209
144.71032.88191.063610.07312.59542.99620.05860.0474-0.19430.0733-0.04340.58070.1758-0.3297-0.0152-0.1779-0.01030.0430.014-0.0030.0501-24.595-10.70160.3797
152.76060.3806-1.75162.4098-0.68631.4189-0.00040.30550.0144-0.34220.03570.4112-0.0083-0.5206-0.0353-0.15240.0193-0.0537-0.02490.01070.0567-24.2266-3.008-8.0664
161.27910.2784-1.15682.0276-1.39973.0541-0.06410.11850.0539-0.10960.09820.5868-0.0356-0.4842-0.0341-0.14230.0419-0.06280.06210.03050.1354-28.52291.6584-7.6936
171.80210.4526-0.33163.92470.40331.5451-0.01780.15420.0822-0.24720.0693-0.1672-0.14010.0538-0.0515-0.1564-0.02120.0041-0.1680.0399-0.210410.358115.9645-4.6092
184.63844.6206-4.27947.6744-4.76964.03180.1725-0.26610.35840.2543-0.06860.034-0.27170.1525-0.1039-0.0507-0.0270.0099-0.1790.0228-0.12099.57330.93752.3388
197.58685.75912.68338.5332.95844.3761-0.0179-0.14050.12310.33710.0302-0.12020.18520.0608-0.0123-0.17320.0417-0.0373-0.17110.0212-0.191113.81762.96628.3326
2010.39134.4867-1.096318.0004-0.26780.1183-0.1154-0.3630.34840.1553-0.1035-0.8033-0.27020.85940.21890.0343-0.0258-0.11760.0819-0.02630.068524.897918.237913.2025
2112.1981.43012.83596.53453.39322.1307-0.25740.31770.98950.33230.4020.0953-0.79540.583-0.14470.1767-0.0379-0.1750.3252-0.02380.276634.481318.490616.1673
223.40520.99832.50594.59243.03367.8895-0.0721-0.3018-0.15410.40420.0772-0.49960.17340.3231-0.0051-0.13150.0549-0.0726-0.03850.006-0.018824.96860.92439.3577
236.43911.46451.28022.7346-0.10191.9878-0.024-0.05150.1938-0.00070.0672-0.5475-0.18520.3237-0.0431-0.1738-0.0118-0.0029-0.1045-0.0104-0.060123.92879.43251.7925
241.7961-0.92820.2032.6831-0.84952.0872-0.03860.080.1161-0.08450.0092-0.5719-0.06140.37660.0294-0.1596-0.02120.0319-0.0287-0.0170.028528.04189.421-3.0964
252.6384-0.38990.25322.6628-0.45152.3201-0.0737-0.3705-0.16840.6980.00390.08060.14340.03310.06990.06990.02680.0384-0.11710.0438-0.19913.447-0.625419.1225
264.43490.073-4.25890.29210.98347.90560.1488-1.0036-0.10940.6968-0.1163-0.09010.04110.8317-0.03250.26030.0573-0.18360.21160.07970.009217.839-0.686827.1976
272.99841.18861.90466.274.23418.5288-0.20950.01540.07990.13590.09730.0830.05230.26210.1122-0.19120.00630.0163-0.19880.0371-0.21261.717114.21267.9231
283.7837-1.99552.42175.53353.19796.01890.0399-0.51720.6860.91870.1914-0.442-0.2160.3584-0.23130.16960.0638-0.08880.195-0.06670.10610.10421.973923.7302
290.3345-0.681.10931.3945-2.46137.16050.3041-0.90560.75830.772-0.2265-0.0223-0.61050.1379-0.07760.3257-0.0565-0.13710.3695-0.18060.20057.920929.570229.5757
304.87022.0410.51297.56653.1884.2867-0.08910.0060.1602-0.02750.08420.0191-0.29650.00550.0049-0.12020.02090.0108-0.16430-0.1793-3.609622.931913.0826
311.5199-1.2671-0.77425.10152.93214.94-0.227-0.4011-0.03730.60520.13210.00210.25630.16660.0948-0.04310.02040.0494-0.12070.0144-0.1832-2.372214.799320.9394
321.1347-0.2195-0.4434.3866-0.30331.0097-0.1723-0.3405-0.05870.6140.01350.170.2477-0.02470.15880.0550.02110.0932-0.0365-0.0178-0.1278-7.229213.905824.9226
333.7472-0.2782-0.1832.519-0.01811.91080.121-0.3831-0.0839-0.02170.1642-0.3832-0.02410.2425-0.2852-0.1567-0.0338-0.0252-0.0617-0.0226-0.102968.354142.959344.2331
3414.2843-7.07644.90089.7832-5.22212.92520.17040.29680.3003-0.106-0.2313-0.901-0.11050.69290.0608-0.0301-0.10240.06430.0719-0.10770.143381.189452.998242.2124
359.87860.74134.60663.54051.18745.1239-0.0459-0.67660.19760.17730.0764-0.0896-0.07120.163-0.0305-0.1223-0.01960.01560.024-0.0154-0.18655.382950.730555.1799
3624.69044.14253.68247.3434-3.11962.6502-0.012-0.47170.0760.10040.1873-0.71680.34920.2197-0.17520.2096-0.0423-0.07170.351-0.07220.201472.935555.089963.0036
376.36125.577418.34364.890216.083452.8966-1.3148-0.78320.44320.25730.15660.42380.6702-0.46361.15820.3072-0.06940.03110.4459-0.03980.322873.30855.168772.5791
383.27530.93040.66635.10711.86963.26850.1781-0.78690.28050.7629-0.10310.01540.0920.0261-0.0750.1350.0451-0.01080.3010.0653-0.10356.774247.822566.234
395.4473-1.03774.98622.5144-1.88795.5896-0.0125-0.4316-0.15130.50720.0508-0.4868-0.08840.2853-0.0383-0.01780.0084-0.0790.21290.0438-0.085265.54343.055160.4708
401.27310.1145-1.23522.65121.26162.62310.1109-0.4609-0.11060.5450.1198-0.22310.11390.1326-0.23070.0780.0509-0.14890.2320.16770.011367.499937.350262.3589
411.8787-0.7767-0.51742.90020.65422.45430.0767-0.32280.3716-0.17850.0354-0.1584-0.15620.0708-0.1121-0.1149-0.06960.0473-0.1126-0.0591-0.085647.063362.796850.4156
422.3705-6.02380.594415.3304-1.74722.5703-0.3158-0.40220.54170.7090.5-0.5498-0.32960.3716-0.1841-0.0239-0.031-0.02410.1986-0.1484-0.027950.534966.201766.0325
434.49483.94312.69267.91562.89792.4810.1948-0.20710.04730.0462-0.0474-0.265-0.02850.0216-0.1474-0.0851-0.04390.0922-0.1427-0.0042-0.112362.124556.528341.4209
440.9743-0.98810.79686.85465.01679.4537-0.0497-0.58760.15090.89150.05420.20290.0266-0.0544-0.00450.1637-0.07350.02460.1848-0.08630.206867.521172.899156.4719
451.29461.53040.99957.73988.368521.95110.1892-0.16310.49860.5821-0.3075-0.351-0.9124-0.06260.11830.1423-0.1074-0.03080.1414-0.06430.20674.558478.628753.6556
467.65952.85322.38932.3451.43932.40190.04120.17780.0421-0.14990.0269-0.1483-0.07230.2259-0.06810.0387-0.02890.0624-0.09190.0605-0.044167.986265.24136.8031
471.75411.90120.52075.03340.55850.8494-0.0363-0.24960.32150.0491-0.1810.0997-0.15480.0340.2173-0.0177-0.03590.073-0.0811-0.0106-0.00859.464769.85842.7823
484.0981-0.2212-0.66620.16750.33580.78160.09290.00960.57640.0214-0.03240.1743-0.19960.1034-0.06050.1267-0.04720.0598-0.12510.04510.099356.705275.104639.9985
493.3459-0.2134-0.3571.79280.322.03750.0813-0.0975-0.1782-0.0114-0.24360.3426-0.0469-0.24930.1623-0.1539-0.0147-0.0439-0.1374-0.026-0.100730.553242.795643.9711
5011.05044.2342-6.52593.4872-4.84219.549-0.04130.48050.188-0.1650.01760.7297-0.1515-1.02380.0237-0.03440.105-0.14450.159-0.12580.057717.742944.80833.9265
518.30544.78521.32956.47391.87583.3080.00790.1062-0.3239-0.1328-0.09620.2057-0.034-0.05510.0883-0.17780.0256-0.0338-0.1967-0.0044-0.12543.50731.817936.2784
521.20274.53746.222837.450613.996536.61670.4147-0.17040.26050.15230.43871.17170.8735-0.806-0.8534-0.0526-0.0042-0.06620.1347-0.03040.195428.378324.800930.8056
533.7132-2.40554.477233.19451.95676.14410.04410.06280.0326-0.15090.16760.97670.584-0.9454-0.21180.2889-0.1546-0.03920.2232-0.01210.425125.760414.109631.935
545.2952.00861.62144.97422.43374.850.01740.2113-0.8114-0.0982-0.0011-0.05020.4180.1187-0.0163-0.0292-0.00430.0011-0.16510.03460.092642.053520.79939.1931
553.2662.6715-0.25556.1544-0.7222.1432-0.03-0.1225-0.2901-0.1502-0.04030.46330.1922-0.34730.0703-0.1216-0.0253-0.0016-0.12570.01550.012533.265526.587743.8108
561.8002-0.9332-0.3763.64861.24121.59980.0474-0.2151-0.45510.1943-0.14730.40530.3044-0.23280.0999-0.0049-0.07670.0398-0.06450.08140.101731.284924.635149.5383
572.2486-0.6806-0.82662.80340.70222.45050.14590.4463-0.1688-0.3933-0.1435-0.0026-0.2099-0.0883-0.0024-0.05440.0624-0.0464-0.0756-0.0124-0.20451.831236.28124.2183
581.2994-0.5903-2.38344.2739-0.13098.2952-0.05930.5266-0.5017-0.6637-0.30150.43320.3376-0.38050.3608-0.0008-0.003-0.03210.001-0.15550.043748.262920.350421.1958
596.34913.83524.84056.94986.35710.03590.13830.2931-0.063-0.2982-0.22040.2815-0.1244-0.18940.0822-0.08250.1036-0.0695-0.10150.0163-0.178836.76145.462330.345
6025.13987.991126.788826.727-3.205734.226-0.12781.724-2.0392-2.18030.23040.8050.8702-0.2133-0.10260.26650.1886-0.09480.3344-0.16860.262229.750934.364119.3326
615.263-0.2698-1.78233.27874.39026.2638-0.38370.5359-0.4117-0.71560.4911-0.37620.07750.2594-0.10740.22010.0276-0.05030.31610.00910.163923.461734.43149.4209
626.65551.87161.56012.49252.22422.85550.02340.25620.3339-0.1977-0.1480.5062-0.3424-0.46340.12460.11440.1622-0.10.12190.1279-0.05731.007250.135821.6209
632.78511.1261.26910.6958-0.65316.22970.03860.496-0.1689-0.37230.08230.057-0.02-0.4964-0.12090.08550.1575-0.07550.10220.0281-0.132339.488644.075817.045
643.4131-0.94450.08421.781-0.0331.0131-0.00310.74380.1296-0.38720.03780.0772-0.0934-0.0345-0.03470.22980.1094-0.06370.22050.1031-0.139742.242346.708211.8438
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
1X-RAY DIFFRACTION1AA1 - 331 - 33
2X-RAY DIFFRACTION1AA51 - 7951 - 79
3X-RAY DIFFRACTION2AA34 - 5034 - 50
4X-RAY DIFFRACTION3AA80 - 9880 - 98
5X-RAY DIFFRACTION4AA99 - 10299 - 102
6X-RAY DIFFRACTION5AA118 - 125118 - 125
7X-RAY DIFFRACTION6AA126 - 151126 - 151
8X-RAY DIFFRACTION7AA152 - 171152 - 171
9X-RAY DIFFRACTION8AA172 - 206172 - 206
10X-RAY DIFFRACTION9BB1 - 331 - 33
11X-RAY DIFFRACTION9BB51 - 7951 - 79
12X-RAY DIFFRACTION10BB34 - 5034 - 50
13X-RAY DIFFRACTION11BB80 - 9880 - 98
14X-RAY DIFFRACTION12BB99 - 10399 - 103
15X-RAY DIFFRACTION13BB122 - 125122 - 125
16X-RAY DIFFRACTION14BB126 - 151126 - 151
17X-RAY DIFFRACTION15BB152 - 171152 - 171
18X-RAY DIFFRACTION16BB172 - 206172 - 206
19X-RAY DIFFRACTION17CC1 - 331 - 33
20X-RAY DIFFRACTION17CC51 - 7951 - 79
21X-RAY DIFFRACTION18CC34 - 5034 - 50
22X-RAY DIFFRACTION19CC80 - 9880 - 98
23X-RAY DIFFRACTION20CC99 - 10699 - 106
24X-RAY DIFFRACTION21CC119 - 125119 - 125
25X-RAY DIFFRACTION22CC126 - 151126 - 151
26X-RAY DIFFRACTION23CC152 - 171152 - 171
27X-RAY DIFFRACTION24CC172 - 206172 - 206
28X-RAY DIFFRACTION25DD1 - 331 - 33
29X-RAY DIFFRACTION25DD51 - 7951 - 79
30X-RAY DIFFRACTION26DD34 - 5034 - 50
31X-RAY DIFFRACTION27DD80 - 9880 - 98
32X-RAY DIFFRACTION28DD99 - 10599 - 105
33X-RAY DIFFRACTION29DD118 - 125118 - 125
34X-RAY DIFFRACTION30DD126 - 151126 - 151
35X-RAY DIFFRACTION31DD152 - 171152 - 171
36X-RAY DIFFRACTION32DD172 - 206172 - 206
37X-RAY DIFFRACTION33EE1 - 331 - 33
38X-RAY DIFFRACTION33EE51 - 7951 - 79
39X-RAY DIFFRACTION34EE34 - 5034 - 50
40X-RAY DIFFRACTION35EE80 - 9880 - 98
41X-RAY DIFFRACTION36EE99 - 10799 - 107
42X-RAY DIFFRACTION37EE121 - 125121 - 125
43X-RAY DIFFRACTION38EE126 - 151126 - 151
44X-RAY DIFFRACTION39EE152 - 171152 - 171
45X-RAY DIFFRACTION40EE172 - 206172 - 206
46X-RAY DIFFRACTION41FF1 - 331 - 33
47X-RAY DIFFRACTION41FF51 - 7951 - 79
48X-RAY DIFFRACTION42FF34 - 5034 - 50
49X-RAY DIFFRACTION43FF80 - 9880 - 98
50X-RAY DIFFRACTION44FF99 - 11399 - 113
51X-RAY DIFFRACTION45FF115 - 125115 - 125
52X-RAY DIFFRACTION46FF126 - 151126 - 151
53X-RAY DIFFRACTION47FF152 - 171152 - 171
54X-RAY DIFFRACTION48FF172 - 206172 - 206
55X-RAY DIFFRACTION49GG1 - 331 - 33
56X-RAY DIFFRACTION49GG51 - 7951 - 79
57X-RAY DIFFRACTION50GG34 - 5034 - 50
58X-RAY DIFFRACTION51GG80 - 9880 - 98
59X-RAY DIFFRACTION52GG99 - 10399 - 103
60X-RAY DIFFRACTION53GG121 - 125121 - 125
61X-RAY DIFFRACTION54GG126 - 151126 - 151
62X-RAY DIFFRACTION55GG152 - 171152 - 171
63X-RAY DIFFRACTION56GG172 - 206172 - 206
64X-RAY DIFFRACTION57HH1 - 331 - 33
65X-RAY DIFFRACTION57HH51 - 7951 - 79
66X-RAY DIFFRACTION58HH34 - 5034 - 50
67X-RAY DIFFRACTION59HH80 - 9880 - 98
68X-RAY DIFFRACTION60HH99 - 10299 - 102
69X-RAY DIFFRACTION61HH118 - 125118 - 125
70X-RAY DIFFRACTION62HH126 - 151126 - 151
71X-RAY DIFFRACTION63HH152 - 171152 - 171
72X-RAY DIFFRACTION64HH172 - 206172 - 206

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