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- PDB-3v5e: Crystal structure of ClpP from Staphylococcus aureus in the activ... -

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Basic information

Entry
Database: PDB / ID: 3v5e
TitleCrystal structure of ClpP from Staphylococcus aureus in the active, extended conformation
ComponentsATP-dependent Clp protease proteolytic subunit
KeywordsHYDROLASE
Function / homology
Function and homology information


endopeptidase Clp / endopeptidase Clp complex / ATP-dependent peptidase activity / protein quality control for misfolded or incompletely synthesized proteins / ATPase binding / serine-type endopeptidase activity / cytoplasm
Similarity search - Function
ClpP, Ser active site / Endopeptidase Clp serine active site. / ClpP, histidine active site / Endopeptidase Clp histidine active site. / ATP-dependent Clp protease proteolytic subunit / Clp protease proteolytic subunit /Translocation-enhancing protein TepA / Clp protease / 2-enoyl-CoA Hydratase; Chain A, domain 1 / 2-enoyl-CoA Hydratase; Chain A, domain 1 / ClpP/crotonase-like domain superfamily ...ClpP, Ser active site / Endopeptidase Clp serine active site. / ClpP, histidine active site / Endopeptidase Clp histidine active site. / ATP-dependent Clp protease proteolytic subunit / Clp protease proteolytic subunit /Translocation-enhancing protein TepA / Clp protease / 2-enoyl-CoA Hydratase; Chain A, domain 1 / 2-enoyl-CoA Hydratase; Chain A, domain 1 / ClpP/crotonase-like domain superfamily / Alpha-Beta Complex / Alpha Beta
Similarity search - Domain/homology
ATP-dependent Clp protease proteolytic subunit
Similarity search - Component
Biological speciesStaphylococcus aureus subsp. aureus (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.3 Å
AuthorsGersch, M. / List, A. / Groll, M. / Sieber, S.
CitationJournal: J.Biol.Chem. / Year: 2012
Title: Insights into structural network responsible for oligomerization and activity of bacterial virulence regulator caseinolytic protease P (ClpP) protein.
Authors: Gersch, M. / List, A. / Groll, M. / Sieber, S.A.
History
DepositionDec 16, 2011Deposition site: RCSB / Processing site: RCSB
Revision 1.0Feb 8, 2012Provider: repository / Type: Initial release
Revision 1.1Jul 11, 2012Group: Database references
Revision 1.2Nov 8, 2017Group: Refinement description / Category: software / Item: _software.name
Revision 1.3Sep 13, 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: ATP-dependent Clp protease proteolytic subunit
B: ATP-dependent Clp protease proteolytic subunit
C: ATP-dependent Clp protease proteolytic subunit
D: ATP-dependent Clp protease proteolytic subunit
E: ATP-dependent Clp protease proteolytic subunit
F: ATP-dependent Clp protease proteolytic subunit
G: ATP-dependent Clp protease proteolytic subunit
H: ATP-dependent Clp protease proteolytic subunit
I: ATP-dependent Clp protease proteolytic subunit
J: ATP-dependent Clp protease proteolytic subunit
K: ATP-dependent Clp protease proteolytic subunit
L: ATP-dependent Clp protease proteolytic subunit
M: ATP-dependent Clp protease proteolytic subunit
N: ATP-dependent Clp protease proteolytic subunit


Theoretical massNumber of molelcules
Total (without water)316,10214
Polymers316,10214
Non-polymers00
Water1,71195
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area55870 Å2
ΔGint-194 kcal/mol
Surface area91530 Å2
MethodPISA
Unit cell
Length a, b, c (Å)117.220, 94.860, 139.020
Angle α, β, γ (deg.)90.00, 97.74, 90.00
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS oper:
IDCodeMatrixVector
1given(1), (1), (1)
2given(0.896224, 0.428543, -0.114601), (-0.386335, 0.627065, -0.676414), (-0.21801, 0.650492, 0.727551)-3.07743, -35.96543, -9.68188
3given(0.666915, 0.571854, -0.477711), (-0.438751, -0.21681, -0.872061), (-0.602264, 0.791187, 0.106308)-20.05515, -50.74632, -39.37488
4given(0.484054, 0.32442, -0.812677), (-0.122841, -0.894342, -0.430189), (-0.866373, 0.308064, -0.393058)-37.94835, -33.26625, -66.64333
5given(0.477883, -0.119131, -0.870308), (0.32763, -0.895096, 0.302425), (-0.815037, -0.429663, -0.388721)-43.87613, 3.0377, -71.40132
6given(0.666479, -0.435051, -0.605422), (0.572881, -0.220818, 0.789333), (-0.477088, -0.872909, 0.102062)-32.57964, 31.26888, -49.74927
7given(0.898766, -0.382502, -0.214272), (0.422357, 0.62426, 0.657201), (-0.117619, -0.681169, 0.722616)-12.89582, 29.7325, -18.21674
8given(-0.461247, -0.249882, 0.851358), (-0.251245, -0.883467, -0.395425), (0.850957, -0.396288, 0.344715)-8.82465, -35.06339, -4.74587
9given(-0.623415, -0.552991, 0.55277), (-0.551926, -0.18953, -0.812069), (0.553833, -0.811344, -0.187055)-25.41907, -51.33109, -33.78645
10given(-0.860053, -0.481167, 0.169669), (-0.476777, 0.639569, -0.603022), (0.181639, -0.599525, -0.779472)-43.81139, -35.57386, -61.9653
11given(-0.996031, -0.088644, -0.00799), (-0.089002, 0.991532, 0.094564), (-0.00046, 0.0949, -0.995487)-50.15943, 0.98172, -67.81467
12given(-0.931909, 0.32905, 0.152552), (0.327303, 0.581752, 0.744605), (0.156265, 0.743835, -0.649839)-39.78052, 30.00467, -46.50049
13given(-0.716096, 0.460099, 0.524896), (0.457705, -0.258227, 0.850779), (0.526985, 0.849487, -0.025674)-20.81643, 30.24002, -15.58703
14given(-0.506731, 0.197855, 0.839093), (0.200775, -0.919461, 0.338054), (0.838399, 0.339771, 0.426196)-6.73561, 0.9167, 3.77656

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Components

#1: Protein
ATP-dependent Clp protease proteolytic subunit / Endopeptidase Clp


Mass: 22578.680 Da / Num. of mol.: 14
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Staphylococcus aureus subsp. aureus (bacteria)
Strain: NCTC 8325 / Gene: clpP, SAOUHSC_00790 / Plasmid: pET301 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) / References: UniProt: Q2G036, endopeptidase Clp
#2: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 95 / 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: 2.42 Å3/Da / Density % sol: 49.23 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7
Details: 200 mM Sodium malonate, 38% MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1 Å
DetectorType: PSI PILATUS 6M / Detector: PIXEL / Date: Feb 19, 2011
RadiationMonochromator: double-crystal fixed exit monochromator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.3→50 Å / Num. all: 134296 / Num. obs: 129058 / % possible obs: 96.1 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Rmerge(I) obs: 0.065 / Net I/σ(I): 11.21
Reflection shellResolution: 2.3→2.4 Å / Rmerge(I) obs: 0.51 / Mean I/σ(I) obs: 2.23 / % possible all: 98.6

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Processing

Software
NameVersionClassification
RemDAqdata collection
REFMAC5.6.0119refinement
XDSdata reduction
XSCALEdata scaling
REFMAC5.6.0119phasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB entry 3QWD

3qwd


Resolution: 2.3→48.2 Å / Cor.coef. Fo:Fc: 0.951 / Cor.coef. Fo:Fc free: 0.937 / SU B: 16.709 / SU ML: 0.175 / Cross valid method: THROUGHOUT / ESU R Free: 0.227 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
RfactorNum. reflection% reflectionSelection details
Rfree0.23108 6453 5 %RANDOM
Rwork0.20084 ---
obs0.20235 122589 96.13 %-
all-129058 --
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso mean: 48.154 Å2
Baniso -1Baniso -2Baniso -3
1-0.22 Å20 Å2-0.19 Å2
2--0.1 Å20 Å2
3----0.36 Å2
Refinement stepCycle: LAST / Resolution: 2.3→48.2 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms19908 0 0 95 20003
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0050.01920160
X-RAY DIFFRACTIONr_angle_refined_deg0.861.97427202
X-RAY DIFFRACTIONr_dihedral_angle_1_deg4.75452548
X-RAY DIFFRACTIONr_dihedral_angle_2_deg35.34625.385910
X-RAY DIFFRACTIONr_dihedral_angle_3_deg13.923153710
X-RAY DIFFRACTIONr_dihedral_angle_4_deg12.52215112
X-RAY DIFFRACTIONr_chiral_restr0.060.23164
X-RAY DIFFRACTIONr_gen_planes_refined0.0040.02114910
X-RAY DIFFRACTIONr_rigid_bond_restr2.059320160
X-RAY DIFFRACTIONr_sphericity_free26.415361
X-RAY DIFFRACTIONr_sphericity_bonded6.22520666
LS refinement shellResolution: 2.3→2.358 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.327 462 -
Rwork0.273 8826 -
obs--98.67 %
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)
148.243.11417.34494.85357.278511.0716-1.4231-3.03910.37370.81020.71440.43351.11550.7850.70860.38690.18310.04460.4245-0.01450.1992-62.4343-19.7646-23.1863
20.4643-0.3620.32041.2170.39160.663-0.0482-0.0870.03640.04050.0389-0.0198-0.025-0.08590.00930.2196-0.00760.03380.26910.02910.2488-55.1333-28.379-27.2808
30.09780.0390.19050.28370.17560.40980.0012-0.059-0.04010.02860.0542-0.00970.0114-0.0882-0.05540.239-0.02450.01440.2680.05460.2388-54.2101-35.5003-25.6956
42.8671-0.681.10560.1634-0.24950.52260.0658-0.3025-0.0971-0.00560.08070.00740.1552-0.0998-0.14650.3086-0.054-0.06180.26410.08680.282-54.1991-43.4718-24.6885
50.4614-0.72040.07181.60290.40190.57470.20540.046-0.0215-0.1605-0.0777-0.05860.1606-0.0335-0.12780.2596-0.035-0.00620.220.04650.2676-52.2137-35.0783-38.1369
60.61330.01610.82441.84340.00681.11330.12220.1112-0.03320.0744-0.08090.06010.12910.1315-0.04140.2358-0.0273-0.00130.25340.03820.2595-56.2524-40.4292-38.0435
70.2548-0.2882-0.00930.356-0.00750.0190.0671-0.0329-0.0075-0.0886-0.0350.00080.02740.0326-0.03210.2658-0.01910.0090.23610.01610.2547-31.7933-37.2161-37.4759
85.4543-1.7132-1.7810.80020.23231.13390.2779-0.10270.2469-0.2172-0.02-0.07910.1444-0.1376-0.25790.2873-0.0757-0.05540.30370.09990.3161-26.8684-43.904-32.2131
91.9181.271-0.21451.93371.05161.33440.0168-0.1044-0.11410.1431-0.016-0.07070.1760.0506-0.00080.2944-0.0151-0.05640.1590.03310.301-42.4133-49.4158-37.7412
100.0481-0.1070.09650.80630.05250.35240.07270.0104-0.0551-0.1497-0.02350.09490.07720.0089-0.04930.2878-0.0271-0.05450.18850.00640.2864-49.6581-42.1204-46.5675
1116.30024.8936-8.07554.294920.542613.9867-0.22940.51970.36550.1369-0.40812.26120.1366-0.43430.63750.330.0478-0.02970.35130.13230.3583-56.5187-24.0634-13.9398
120.66190.1329-1.17790.73890.08432.3861-0.12150.0713-0.0652-0.02540.0389-0.0343-0.0232-0.19390.08260.3590.01320.01290.30130.0630.2285-45.7522-28.9998-11.9405
131.59390.0060.11750.76510.05240.1940.0554-0.2153-0.07530.1652-0.0161-0.055-0.06010.0279-0.03930.3073-0.04710.01050.27730.07610.2006-41.7996-32.2546-5.7195
142.4376-0.3899-1.11360.06920.1960.6414-0.0992-0.0788-0.2384-0.0125-0.03630.0143-0.1746-0.09610.13550.47740.0664-0.03270.3420.02980.2477-42.3795-38.613-5.0831
150.2825-0.18170.81440.1182-0.53422.4736-0.03860.02190.03440.01410.0041-0.01570.03450.08330.03450.2845-0.0258-0.02340.2730.0210.2911-33.4083-37.8639-14.3788
160.4316-0.2447-0.73871.18261.47662.65060.03650.1176-0.15910.03050.0726-0.0537-0.1270.0237-0.10920.2629-0.0484-0.00680.2560.0320.3485-41.3311-45.4973-12.3946
172.11140.71910.46150.7180.45720.29220.089-0.11330.12630.1594-0.11840.0550.1158-0.07020.02940.2646-0.0246-0.06350.26640.08720.2762-16.8465-30.108-13.7105
181.35661.0703-1.48333.6275-1.24741.67360.0674-0.14890.04410.18710.01970.0263-0.08540.0803-0.08710.2886-0.0353-0.09660.23840.11130.2527-23.2496-42.6662-7.0985
193.2335-0.96980.21491.15910.01610.03060.05550.1334-0.32590.0756-0.0271-0.19830.05290.0312-0.02840.3046-0.0189-0.01980.21730.06110.292-28.0169-47.2404-18.0258
2011.2964-3.69687.08087.6762-12.081519.22480.0961-0.6366-0.8392-0.25290.31440.270.3025-0.3303-0.41050.3648-0.0987-0.00080.28410.08640.2618-43.4171-49.8365-14.8825
212.7566-0.498-1.10020.09070.1980.44-0.144-0.1104-0.37310.03810.00210.06340.03990.05790.1420.3943-0.09110.03510.3856-0.00040.2106-48.5498-18.4745-0.1176
221.3497-0.2127-0.31040.2168-0.22670.54780.0725-0.10390.00220.0398-0.0959-0.04320.03750.16930.02340.3517-0.0929-0.00690.41080.03690.1844-37.9302-10.3523-0.4719
230.5404-0.34350.17270.43590.01380.469-0.0194-0.1533-0.0550.0596-0.05790.0190.1237-0.08920.07720.35-0.09820.00110.41670.03360.202-34.9967-12.32885.9298
241.3332-1.4619-0.63041.77860.13272.2778-0.103-0.07850.04250.1390.1308-0.0830.2205-0.0641-0.02780.369-0.0951-0.04580.37630.03980.2148-35.8659-17.87879.0427
253.73813.57292.32253.44582.23951.45630.1816-0.0778-0.07810.2972-0.13910.00190.1988-0.0497-0.04250.4115-0.06440.06380.32720.05210.344-24.6288-17.24160.3946
260.3482-0.6318-0.47611.33810.91780.66760.09120.007-0.05480.0594-0.1416-0.0868-0.03-0.05930.05040.4427-0.0948-0.09510.4230.09450.2513-30.1948-21.89119.5021
272.93452.10770.17111.68850.27040.16330.1254-0.25040.06490.2407-0.15930.16960.1379-0.02620.0340.3601-0.0363-0.02490.31720.05640.2868-19.4125-18.7418-2.2018
283.20352.3314-2.78231.8886-1.31645.09310.0164-0.06020.04490.0274-0.02760.07250.00860.2360.01120.2226-0.0162-0.07530.25730.00960.2236-10.86082.9469-6.8379
292.7168-0.23091.54630.07370.16812.618-0.0129-0.369-0.02330.05910.03020.00650.1875-0.1801-0.01730.3849-0.0394-0.0860.32640.05370.1956-16.1304-11.63589.2608
301.6345-0.0740.53620.13890.14890.40210.0885-0.1702-0.19460.2172-0.0158-0.03340.3035-0.0861-0.07280.4242-0.0849-0.07130.350.11170.246-19.4104-24.77925.7663
3157.8411-26.434738.003113.2469-12.959641.64771.6517-3.0646-4.4764-0.70271.55032.01961.5976-0.8453-3.2020.3985-0.35-0.04730.48620.14840.3743-51.1673-6.6396-3.0212
320.2516-0.40260.20630.7832-0.28370.18680.0596-0.0801-0.0245-0.018-0.02810.01380.054-0.1303-0.03150.294-0.0680.00660.3447-0.00920.1992-43.03392.1782-3.628
331.2250.10040.20140.9562-0.53530.36770.0428-0.23120.06780.1208-0.0995-0.0648-0.00410.01860.05670.276-0.03850.01350.3403-0.08780.1591-42.742110.0752-2.0571
340.77770.5402-0.88440.3772-0.62421.07970.0669-0.05130.01660.03260.00570.0129-0.0142-0.0579-0.07260.2882-0.0479-0.01060.4124-0.03850.161-40.773111.66083.8395
350.1963-0.5307-0.291923.9390.11030.463-0.032-0.09420.0168-0.06470.13510.2542-0.01720.1078-0.10310.27-0.0478-0.04620.34860.0120.2059-28.45288.93-2.8117
363.7235-2.7019-5.62562.04223.98778.7402-0.12090.0218-0.08540.1034-0.2103-0.02180.14950.01320.33120.2934-0.1003-0.03370.47560.00350.2519-34.768412.94086.5058
3720.2482-12.2411-3.44579.0755.02735.8429-0.1579-0.3852-0.39330.06480.24790.11720.05230.2133-0.090.3513-0.0846-0.01980.3630.05820.1867-29.51361.23099.0997
380.83480.399-0.26390.7377-0.04290.1146-0.0781-0.06170.0068-0.07150.0480.00320.0778-0.02360.03010.2617-0.0452-0.04460.2643-0.03320.1908-22.121117.5078-16.5696
391.9979-0.2979-0.23190.92140.92471.2080.1461-0.17840.08660.09-0.072-0.04560.1968-0.075-0.07410.2292-0.0379-0.05020.2618-0.08340.1976-24.991121.8764-1.9044
400.24380.5274-0.43641.2962-1.04170.85350.0289-0.1521-0.03120.1717-0.1402-0.1349-0.07450.12580.11130.3164-0.0339-0.0830.4237-0.03310.1753-21.989410.30495.4237
4119.7388-18.021230.402818.9565-26.722147.26310.8343-0.7725-0.7376-0.0950.56280.29311.6811-1.1922-1.39710.3701-0.1336-0.03630.239-0.01970.1962-55.59061.8771-9.4789
421.2542-0.1460.98360.7179-0.27220.80770.0101-0.1030.0391-0.0365-0.02470.01910.0284-0.06340.01460.2617-0.02820.0280.2247-0.07890.2033-51.612210.4886-16.8464
430.40170.36930.04590.42740.26750.9453-0.0656-0.05190.01050.0297-0.0411-0.01120.0403-0.04210.10670.23390.0137-0.00990.2279-0.07220.224-54.70416.5448-20.9274
442.7548-0.02710.57790.2773-0.72082.194-0.0897-0.0847-0.07610.06480.01890.0165-0.0319-0.05020.07080.23520.01570.01980.1766-0.12460.209-54.990522.0684-18.5352
451.18870.6328-0.35180.3778-0.14090.4482-0.0465-0.1387-0.02360.0122-0.11590.0662-0.1620.14930.16250.2715-0.0194-0.02460.2469-0.07670.216-45.98324.7427-17.5451
460.71350.1904-1.38921.1491-0.60162.80040.0214-0.02860.03150.07880.01180.1183-0.0567-0.0503-0.03320.19590.0049-0.03550.2469-0.04790.2178-35.648922.7224-24.0539
472.8752-1.7852-2.0941.67492.1282.7479-0.27150.07450.11450.3234-0.06580.18120.4353-0.11970.33730.2324-0.0320.00260.11060.00040.2265-36.769419.2941-47.547
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491.62910.3179-0.13120.3836-0.45790.59440.0243-0.24830.16420.1142-0.0893-0.0285-0.1670.0950.0650.2624-0.0167-0.0270.1851-0.07120.2134-35.710430.8505-20.9449
506.9669-6.66424.00279.7229-8.17177.9332-0.11620.0152-0.21390.30650.1750.1598-0.3017-0.2199-0.05880.3459-0.019-0.01080.2133-0.09740.1785-45.500628.9701-8.5206
5133.104132.79050.276232.48020.27310.00420.7062-0.81020.95290.6595-0.75820.9396-0.0120.01020.0520.3533-0.0146-0.01720.3259-0.09980.0912-61.7961.0616-19.4848
520.41870.50090.18090.61480.20480.09280.1346-0.0638-0.02790.1236-0.1074-0.06020.1112-0.0183-0.02720.2323-0.00230.02990.2781-0.01670.2027-59.92173.3606-31.1239
530.81960.1911-0.13930.7231-0.20530.8762-0.116-0.10320.08720.03360.068-0.01680.0401-0.02360.0480.19020.007700.2199-0.05770.1969-64.14673.1436-37.1383
546.2881-0.74830.81274.6081.67840.8028-0.15250.0128-0.04020.24230.1502-0.00230.07420.05530.00230.1429-0.00230.01910.1716-0.04770.1924-69.2863.6353-43.6665
553.6314.60591.17456.05951.48440.3862-0.1306-0.1992-0.0028-0.14590.0528-0.061-0.0695-0.06580.07780.16570.0406-0.01460.3542-0.07120.2386-61.77113.8051-36.2276
567.30416.244710.97826.587110.452517.41270.05240.13960.14320.3274-0.24860.12350.3423-0.0770.19620.22130.02680.0070.24-0.03520.179-53.701410.9226-43.8884
570.82790.8932-0.33420.9764-0.36420.13740.0518-0.0510.01170.068-0.02760.0288-0.04170.0078-0.02420.21450.0613-0.01150.2032-0.07370.2199-63.735716.0113-40.8935
580.5292-0.341-0.76121.01210.92031.9539-0.0986-0.1449-0.060.06440.04630.0860.03970.06270.05220.17370.0236-0.01230.1814-0.02740.1827-45.30825.7216-51.6247
591.4461-1.78-0.23562.64920.79021.0484-0.09310.13920.07770.1403-0.0891-0.00370.0262-0.20060.18220.1522-0.012-0.05240.1769-0.0290.1569-55.08718.0224-57.7869
601.4762-0.1935-0.79160.11290.09221.33950.0621-0.03190.2292-0.0350.00510.0064-0.2338-0.057-0.06730.20450.0286-0.03330.1514-0.03910.2107-54.955921.0284-46.9217
610.05870.0406-0.02570.0283-0.01750.01460.1180.0931-0.04110.1423-0.0249-0.0342-0.1176-0.0186-0.09310.94860.1530.01180.3014-0.18510.2375-64.8435-8.5535-25.5066
620.01220.0751-0.01710.697-0.11330.0285-0.03610.0264-0.010.12510.0523-0.03950.0259-0.0019-0.01620.2588-0.01490.03050.3413-0.02680.2187-61.4445-13.9472-35.6859
631.1272-0.32310.00580.78510.15710.4284-0.0221-0.14870.0122-0.0348-0.03980.06130.0140.03980.06190.2069-0.0239-0.00230.2406-0.03970.2078-63.8314-20.9675-40.328
640.391-0.29120.53110.2291-0.38680.7339-0.0238-0.1092-0.00270.05840.0737-0.0421-0.0589-0.1521-0.04990.2262-0.03190.01230.22970.00190.3071-68.5699-16.8117-44.6294
651.40262.54070.69155.49042.23931.44240.09440.01220.04660.03360.0654-0.1099-0.09330.0316-0.15980.2021-0.0038-0.00230.2144-0.01360.215-58.4565-15.9948-50.4886
660.7269-0.40740.14013.5871-2.3891.62720.1388-0.09830.1151-0.0565-0.06080.0465-0.00960.0079-0.0780.16140.00250.010.2809-0.060.1823-68.2656-10.7089-51.5181
670.395-0.0097-0.42991.03220.33580.5718-0.1054-0.0407-0.054-0.00620.0506-0.0420.11460.04360.05480.25070.0124-0.0120.1823-0.04560.1867-42.0744-24.8517-54.2312
681.68550.4726-0.68370.1399-0.26681.05380.078-0.0513-0.0872-0.0008-0.0073-0.01340.1520.0111-0.07070.23610.0008-0.05470.0976-0.05540.2011-57.126-25.0158-59.745
690.004-0.00020.04120.0087-0.03830.90520.0003-0.01350.0223-0.0403-0.01790.00890.0921-0.06390.01760.24110.0382-0.04450.1929-0.06110.2374-57.2259-12.4808-61.458
704.61785.06634.351613.973710.25427.67030.23610.13410.47430.203-0.69290.43330.1785-0.4620.45680.2332-0.00180.02070.1851-0.00860.2535-70.4839-7.9617-53.8697
7147.551-3.40378.402414.4287-5.63521.06340.81312.3413-1.6865-1.27940-1.33241.25851.9968-0.81310.26680.09420.0540.4416-0.12450.47575.13767.2068-58.0951
722.1658-0.01340.16710.61960.04181.67210.04540.10260.05040.04320.0158-0.02940.06610.208-0.06110.2149-0.00280.00570.2260.03110.25160.475314.6002-49.8571
730.7088-0.47170.30180.4425-0.05350.4291-0.13210.0170.07010.01880.0295-0.0653-0.01540.10810.10260.2344-0.0606-0.00460.27040.040.25853.731219.828-46.6792
740.7896-0.19-0.55260.11090.03292.448-0.0757-0.1877-0.1720.1153-0.0342-0.04010.05410.43690.10980.2286-0.0511-0.07120.26330.04750.28444.401525.4003-40.5705
750.7417-0.427-0.57720.26670.33520.46-0.07060.1252-0.04150.0076-0.0177-0.01170.0256-0.08180.08830.2548-0.049-0.04210.24490.03780.3041-6.874325.1855-46.8468
760.4889-0.4235-0.54730.61710.14981.03340.05560.05780.0909-0.0567-0.0883-0.1922-0.0524-0.02680.03270.2682-0.05660.00310.2010.0440.2621-5.527430.6343-52.8356
770.6321-0.34230.04410.28290.3241.6427-0.09620.00950.16420.0397-0.0415-0.04980.18560.08030.13770.2273-0.0253-0.06990.2286-0.0190.2205-15.599820.9958-26.647
781.6788-0.0756-1.45781.12140.07061.48290.0387-0.04190.1824-0.07020.1627-0.0965-0.10350.1572-0.20140.2377-0.0735-0.0720.1579-0.01260.2743-9.178333.8192-33.8099
790.5014-0.18350.05820.8270.71960.7309-0.03350.06030.1914-0.1576-0.05730.0013-0.1895-0.03030.09080.2558-0.0195-0.03360.1840.04820.2517-17.082132.9716-43.6523
8010.188811.03877.250313.63454.998410.0519-0.20060.4291-0.1633-0.27540.4592-0.0916-0.1810.348-0.25860.2699-0.0075-0.04540.21190.06740.2722-7.225133.2871-56.162
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821.1627-0.49190.90790.21-0.38260.73380.09530.04690.0694-0.0367-0.0651-0.02330.1580.0573-0.03020.2686-0.0238-0.00520.3069-0.02950.34349.44496.8398-36.2923
831.37610.6557-0.92230.358-0.30251.3006-0.12670.0291-0.1607-0.00340.0067-0.07140.08380.12180.120.2272-0.0219-0.03450.30430.02490.298313.68236.3627-30.302
841.79592.356-0.53644.1162-3.37727.2174-0.1307-0.1805-0.1409-0.263-0.2032-0.24760.22280.12820.33390.1875-0.0035-0.04880.31770.0420.325818.46015.9075-23.3818
851.336-0.6705-0.7191.39910.24280.4008-0.19890.3915-0.13510.28640.107-0.0240.0815-0.23620.09190.2267-0.0215-0.06590.3354-0.01460.291811.968516.3451-29.6668
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870.90860.7816-0.54532.4371-1.08060.7258-0.0049-0.1013-0.0411-0.2381-0.0819-0.22440.16770.12080.08680.2252-0.0361-0.06610.24670.02250.2347-5.28635.7184-15.7701
881.81990.67970.9570.26460.38130.5745-0.0409-0.1413-0.1225-0.05830.0126-0.036-0.09620.05590.02830.266-0.0362-0.09620.31550.05180.26264.28197.9319-9.2993
890.0972-0.182-0.30550.34460.57840.99590.0138-0.03910.0402-0.0250.0511-0.0566-0.11640.0838-0.06490.2403-0.0502-0.09050.27330.00270.26370.727420.982-16.0884
9023.52710.30864.77560.0165-0.285811.1568-0.0267-0.24450.65410.01940.05440.013-0.4747-0.2002-0.02770.3072-0.0477-0.02830.1372-0.04150.276811.230825.804-27.0514
9111.5509-13.3471-15.458215.42417.866420.72930.71750.19110.0992-1.0271-0.39-0.1056-1.3251-0.2835-0.32750.6957-0.01970.06320.2220.09150.343815.4979-4.1112-42.8819
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944.9473-2.5462-0.39753.49791.37461.00160.0152-0.0625-0.0547-0.058-0.02310.0541-0.09950.16320.00790.2152-0.0047-0.00390.31490.10670.324319.934-13.7355-24.5662
950.66662.3742-0.327317.94081.82351.10460.126-0.1163-0.0232-0.2054-0.22410.1028-0.22550.12240.09810.25760.0139-0.02460.29160.05950.36817.141-13.5969-18.4179
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1303.8398-3.62680.135214.1631-13.341516.26690.32870.5634-0.3808-0.8231-0.5650.17250.6530.0840.23640.37580.04390.01850.253-0.09560.2446-17.7608-24.1558-80.8534
1318.33697.4033-15.986.5857-14.211630.67120.0783-0.6003-0.67080.4068-0.8546-0.5107-0.8741.07030.77630.15050.03980.13160.32220.26840.69151.446-1.1885-65.2324
1320.3488-0.28230.2261.6087-0.42860.19090.0374-0.029-0.10170.0434-0.0161-0.18560.00710.0006-0.02130.1654-0.00530.02670.26070.02860.2697-7.40576.795-63.7505
1331.057-0.2807-0.42640.49440.39490.4177-0.0869-0.05290.0604-0.10480.0088-0.00410.0163-0.00620.07820.2088-0.01790.03920.22640.06050.2144-7.960614.0678-64.6832
1343.23340.68341.1495.62590.34931.87860.23950.17840.14640.1077-0.2152-0.2692-0.0480.309-0.02440.1185-0.01050.01850.20650.04980.2121-8.721722.3818-65.7892
1350.1145-0.0180.09140.0046-0.01170.07690.09930.0362-0.0963-0.0037-0.02920.02410.10520.0059-0.07010.27190.01680.07240.28380.01410.2472-13.846211.4817-72.5354
1361.88843.3802-0.606519.39552.01390.9156-0.1102-0.11840.05050.40250.1695-0.02920.15290.1361-0.05940.20650.00470.00290.27410.04080.156-22.50912.3361-63.9453
1374.87311.17972.4660.74030.21892.8121-0.02340.10090.0048-0.0671-0.0643-0.2231-0.1020.02010.08780.20110.00930.0540.21190.07370.1733-17.425914.6121-74.1681
1381.0304-0.03010.01191.41740.50630.206-0.1493-0.02050.0803-0.04650.11550.0205-0.00930.11260.03380.1970.012-0.02340.21910.05780.1625-29.202318.144-51.227
1393.2158-0.86140.89612.478-1.04430.55720.07250.14470.1513-0.0276-0.1391-0.17690.04250.12230.06650.1668-0.0067-0.03670.17640.03040.1639-26.814225.1341-64.6156
1402.4446-0.7922-1.46441.52220.90941.0575-0.06150.22430.001-0.10780.0319-0.00740.0541-0.0380.02960.22710.0375-0.01990.22950.05030.1356-29.086214.0229-72.0313
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A17 - 20
2X-RAY DIFFRACTION2A21 - 41
3X-RAY DIFFRACTION3A42 - 77
4X-RAY DIFFRACTION4A78 - 88
5X-RAY DIFFRACTION5A89 - 101
6X-RAY DIFFRACTION6A102 - 117
7X-RAY DIFFRACTION7A118 - 136
8X-RAY DIFFRACTION8A137 - 144
9X-RAY DIFFRACTION9A145 - 164
10X-RAY DIFFRACTION10A165 - 191
11X-RAY DIFFRACTION11B17 - 20
12X-RAY DIFFRACTION12B21 - 41
13X-RAY DIFFRACTION13B42 - 80
14X-RAY DIFFRACTION14B81 - 94
15X-RAY DIFFRACTION15B95 - 104
16X-RAY DIFFRACTION16B105 - 118
17X-RAY DIFFRACTION17B119 - 142
18X-RAY DIFFRACTION18B143 - 164
19X-RAY DIFFRACTION19B165 - 185
20X-RAY DIFFRACTION20B186 - 191
21X-RAY DIFFRACTION21C17 - 29
22X-RAY DIFFRACTION22C30 - 52
23X-RAY DIFFRACTION23C53 - 83
24X-RAY DIFFRACTION24C84 - 94
25X-RAY DIFFRACTION25C95 - 102
26X-RAY DIFFRACTION26C103 - 116
27X-RAY DIFFRACTION27C117 - 128
28X-RAY DIFFRACTION28C129 - 143
29X-RAY DIFFRACTION29C144 - 165
30X-RAY DIFFRACTION30C166 - 191
31X-RAY DIFFRACTION31D17 - 20
32X-RAY DIFFRACTION32D21 - 41
33X-RAY DIFFRACTION33D42 - 80
34X-RAY DIFFRACTION34D81 - 94
35X-RAY DIFFRACTION35D95 - 102
36X-RAY DIFFRACTION36D103 - 112
37X-RAY DIFFRACTION37D113 - 118
38X-RAY DIFFRACTION38D119 - 142
39X-RAY DIFFRACTION39D143 - 164
40X-RAY DIFFRACTION40D165 - 191
41X-RAY DIFFRACTION41E17 - 20
42X-RAY DIFFRACTION42E21 - 41
43X-RAY DIFFRACTION43E42 - 79
44X-RAY DIFFRACTION44E80 - 94
45X-RAY DIFFRACTION45E95 - 116
46X-RAY DIFFRACTION46E117 - 128
47X-RAY DIFFRACTION47E129 - 143
48X-RAY DIFFRACTION48E144 - 164
49X-RAY DIFFRACTION49E165 - 185
50X-RAY DIFFRACTION50E186 - 191
51X-RAY DIFFRACTION51F17 - 20
52X-RAY DIFFRACTION52F21 - 41
53X-RAY DIFFRACTION53F42 - 77
54X-RAY DIFFRACTION54F78 - 87
55X-RAY DIFFRACTION55F88 - 94
56X-RAY DIFFRACTION56F95 - 102
57X-RAY DIFFRACTION57F103 - 116
58X-RAY DIFFRACTION58F117 - 135
59X-RAY DIFFRACTION59F136 - 165
60X-RAY DIFFRACTION60F166 - 191
61X-RAY DIFFRACTION61G17 - 20
62X-RAY DIFFRACTION62G21 - 41
63X-RAY DIFFRACTION63G42 - 83
64X-RAY DIFFRACTION64G84 - 94
65X-RAY DIFFRACTION65G95 - 107
66X-RAY DIFFRACTION66G108 - 118
67X-RAY DIFFRACTION67G119 - 143
68X-RAY DIFFRACTION68G144 - 164
69X-RAY DIFFRACTION69G165 - 185
70X-RAY DIFFRACTION70G186 - 191
71X-RAY DIFFRACTION71H17 - 20
72X-RAY DIFFRACTION72H21 - 41
73X-RAY DIFFRACTION73H42 - 73
74X-RAY DIFFRACTION74H74 - 87
75X-RAY DIFFRACTION75H88 - 106
76X-RAY DIFFRACTION76H107 - 118
77X-RAY DIFFRACTION77H119 - 143
78X-RAY DIFFRACTION78H144 - 164
79X-RAY DIFFRACTION79H165 - 185
80X-RAY DIFFRACTION80H186 - 191
81X-RAY DIFFRACTION81I17 - 20
82X-RAY DIFFRACTION82I21 - 41
83X-RAY DIFFRACTION83I42 - 77
84X-RAY DIFFRACTION84I78 - 86
85X-RAY DIFFRACTION85I87 - 94
86X-RAY DIFFRACTION86I95 - 116
87X-RAY DIFFRACTION87I117 - 135
88X-RAY DIFFRACTION88I136 - 164
89X-RAY DIFFRACTION89I165 - 185
90X-RAY DIFFRACTION90I186 - 191
91X-RAY DIFFRACTION91J17 - 20
92X-RAY DIFFRACTION92J21 - 41
93X-RAY DIFFRACTION93J42 - 83
94X-RAY DIFFRACTION94J84 - 94
95X-RAY DIFFRACTION95J95 - 102
96X-RAY DIFFRACTION96J103 - 117
97X-RAY DIFFRACTION97J118 - 143
98X-RAY DIFFRACTION98J144 - 164
99X-RAY DIFFRACTION99J165 - 185
100X-RAY DIFFRACTION100J186 - 191
101X-RAY DIFFRACTION101K17 - 20
102X-RAY DIFFRACTION102K21 - 41
103X-RAY DIFFRACTION103K42 - 73
104X-RAY DIFFRACTION104K74 - 88
105X-RAY DIFFRACTION105K89 - 100
106X-RAY DIFFRACTION106K101 - 116
107X-RAY DIFFRACTION107K117 - 128
108X-RAY DIFFRACTION108K129 - 144
109X-RAY DIFFRACTION109K145 - 164
110X-RAY DIFFRACTION110K165 - 191
111X-RAY DIFFRACTION111L17 - 20
112X-RAY DIFFRACTION112L21 - 41
113X-RAY DIFFRACTION113L42 - 79
114X-RAY DIFFRACTION114L80 - 94
115X-RAY DIFFRACTION115L95 - 102
116X-RAY DIFFRACTION116L103 - 116
117X-RAY DIFFRACTION117L117 - 135
118X-RAY DIFFRACTION118L136 - 165
119X-RAY DIFFRACTION119L166 - 185
120X-RAY DIFFRACTION120L186 - 191
121X-RAY DIFFRACTION121M17 - 29
122X-RAY DIFFRACTION122M30 - 41
123X-RAY DIFFRACTION123M42 - 83
124X-RAY DIFFRACTION124M84 - 94
125X-RAY DIFFRACTION125M95 - 116
126X-RAY DIFFRACTION126M117 - 128
127X-RAY DIFFRACTION127M129 - 143
128X-RAY DIFFRACTION128M144 - 164
129X-RAY DIFFRACTION129M165 - 185
130X-RAY DIFFRACTION130M186 - 191
131X-RAY DIFFRACTION131N17 - 20
132X-RAY DIFFRACTION132N21 - 41
133X-RAY DIFFRACTION133N42 - 77
134X-RAY DIFFRACTION134N78 - 86
135X-RAY DIFFRACTION135N87 - 94
136X-RAY DIFFRACTION136N95 - 102
137X-RAY DIFFRACTION137N103 - 116
138X-RAY DIFFRACTION138N117 - 144
139X-RAY DIFFRACTION139N145 - 164
140X-RAY DIFFRACTION140N165 - 191

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