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- PDB-8dla: ClpP2 from Chlamydia trachomatis bound by MAS1-12 -

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Basic information

Entry
Database: PDB / ID: 8dla
TitleClpP2 from Chlamydia trachomatis bound by MAS1-12
ComponentsATP-dependent Clp protease proteolytic subunit 2
KeywordsHYDROLASE/INHIBITOR / Protease / Chlamydia trachomatis / HYDROLASE / HYDROLASE-INHIBITOR complex
Function / homology
Function and homology information


endopeptidase Clp / ATP-dependent peptidase activity / 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 / ClpP/crotonase-like domain superfamily
Similarity search - Domain/homology
Chem-UER / ATP-dependent Clp protease proteolytic subunit 2
Similarity search - Component
Biological speciesChlamydia trachomatis (bacteria)
MethodX-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.66 Å
AuthorsAzadmanesh, J. / Struble, L.R. / Seleem, M.A. / Ouellette, S. / Conda-Sheridan, M. / Borgstahl, G.E.O.
Funding support United States, 3items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)1P20GM121316-01A1 United States
Department of Defense (DOD, United States)PRMRP#PR172445 United States
National Institutes of Health/National Cancer Institute (NIH/NCI)5P30CA036727-33 United States
CitationJournal: J.Biol.Chem. / Year: 2023
Title: The structure of caseinolytic protease subunit ClpP2 reveals a functional model of the caseinolytic protease system from Chlamydia trachomatis.
Authors: Azadmanesh, J. / Seleem, M.A. / Struble, L. / Wood, N.A. / Fisher, D.J. / Lovelace, J.J. / Artigues, A. / Fenton, A.W. / Borgstahl, G.E.O. / Ouellette, S.P. / Conda-Sheridan, M.
History
DepositionJul 7, 2022Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 9, 2023Provider: repository / Type: Initial release
Revision 1.1Jan 24, 2024Group: Data collection / Database references
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: ATP-dependent Clp protease proteolytic subunit 2
B: ATP-dependent Clp protease proteolytic subunit 2
C: ATP-dependent Clp protease proteolytic subunit 2
D: ATP-dependent Clp protease proteolytic subunit 2
E: ATP-dependent Clp protease proteolytic subunit 2
F: ATP-dependent Clp protease proteolytic subunit 2
G: ATP-dependent Clp protease proteolytic subunit 2
H: ATP-dependent Clp protease proteolytic subunit 2
I: ATP-dependent Clp protease proteolytic subunit 2
J: ATP-dependent Clp protease proteolytic subunit 2
K: ATP-dependent Clp protease proteolytic subunit 2
L: ATP-dependent Clp protease proteolytic subunit 2
M: ATP-dependent Clp protease proteolytic subunit 2
N: ATP-dependent Clp protease proteolytic subunit 2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)312,49232
Polymers309,00114
Non-polymers3,49218
Water8,467470
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: electron microscopy
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)97.000, 98.010, 97.970
Angle α, β, γ (deg.)97.160, 114.150, 114.160
Int Tables number1
Space group name H-MP1
Space group name HallP1
Symmetry operation#1: x,y,z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 2 through 10 or resid 12...
d_2ens_1(chain "B" and (resid 2 through 10 or resid 12...
d_3ens_1(chain "C" and (resid 2 through 10 or resid 12...
d_4ens_1(chain "D" and (resid 2 through 10 or resid 12...
d_5ens_1(chain "E" and (resid 2 through 10 or resid 12...
d_6ens_1(chain "F" and (resid 2 through 10 or resid 12...
d_7ens_1(chain "G" and (resid 2 through 10 or resid 12...
d_8ens_1(chain "H" and (resid 2 through 10 or resid 12...
d_9ens_1(chain "I" and (resid 2 through 10 or resid 12...
d_10ens_1(chain "J" and (resid 2 through 10 or resid 12...
d_11ens_1(chain "K" and (resid 2 through 10 or resid 12...
d_12ens_1(chain "L" and (resid 2 through 10 or resid 12...
d_13ens_1(chain "M" and (resid 2 through 10 or resid 12...
d_14ens_1(chain "N" and (resid 2 through 10 or resid 12...

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1THRASPA2 - 10
d_12ens_1GLYGLYA12
d_13ens_1GLYGLYA14
d_14ens_1ARGGLYA16 - 127
d_15ens_1ILEILEA129
d_16ens_1ALAALAA134
d_17ens_1ILEILEA136
d_18ens_1LEUALAA138 - 193
d_19ens_1THRTHRA196
d_21ens_1THRASPC2 - 10
d_22ens_1GLYGLYC12
d_23ens_1GLYGLYC14
d_24ens_1ARGGLYC16 - 127
d_25ens_1ILEILEC129
d_26ens_1ALAALAC134
d_27ens_1ILEILEC136
d_28ens_1LEUALAC138 - 193
d_29ens_1THRTHRC196
d_31ens_1THRASPE2 - 10
d_32ens_1GLYGLYE12
d_33ens_1GLYGLYE14
d_34ens_1ARGGLYE16 - 127
d_35ens_1ILEILEE129
d_36ens_1ALAALAE134
d_37ens_1ILEILEE136
d_38ens_1LEUALAE138 - 193
d_39ens_1THRTHRE196
d_41ens_1THRASPH2 - 10
d_42ens_1GLYGLYH12
d_43ens_1GLYGLYH14
d_44ens_1ARGGLYH16 - 127
d_45ens_1ILEILEH129
d_46ens_1ALAALAH134
d_47ens_1ILEILEH136
d_48ens_1LEUALAH138 - 193
d_49ens_1THRTHRH196
d_51ens_1THRASPJ2 - 10
d_52ens_1GLYGLYJ12
d_53ens_1GLYGLYJ14
d_54ens_1ARGGLYJ16 - 127
d_55ens_1ILEILEJ129
d_56ens_1ALAALAJ134
d_57ens_1ILEILEJ136
d_58ens_1LEUALAJ138 - 193
d_59ens_1THRTHRJ196
d_61ens_1THRASPK2 - 10
d_62ens_1GLYGLYK12
d_63ens_1GLYGLYK14
d_64ens_1ARGGLYK16 - 127
d_65ens_1ILEILEK129
d_66ens_1ALAALAK134
d_67ens_1ILEILEK136
d_68ens_1LEUALAK138 - 193
d_69ens_1THRTHRK196
d_71ens_1THRASPL2 - 10
d_72ens_1GLYGLYL12
d_73ens_1GLYGLYL14
d_74ens_1ARGGLYL16 - 127
d_75ens_1ILEILEL129
d_76ens_1ALAALAL134
d_77ens_1ILEILEL136
d_78ens_1LEUALAL138 - 193
d_79ens_1THRTHRL196
d_81ens_1THRASPO2 - 10
d_82ens_1GLYGLYO12
d_83ens_1GLYGLYO14
d_84ens_1ARGGLYO16 - 127
d_85ens_1ILEILEO129
d_86ens_1ALAALAO134
d_87ens_1ILEILEO136
d_88ens_1LEUALAO138 - 193
d_89ens_1THRTHRO196
d_91ens_1THRASPP2 - 10
d_92ens_1GLYGLYP12
d_93ens_1GLYGLYP14
d_94ens_1ARGGLYP16 - 127
d_95ens_1ILEILEP129
d_96ens_1ALAALAP134
d_97ens_1ILEILEP136
d_98ens_1LEUALAP138 - 193
d_99ens_1THRTHRP196
d_101ens_1THRASPQ2 - 10
d_102ens_1GLYGLYQ12
d_103ens_1GLYGLYQ14
d_104ens_1ARGGLYQ16 - 127
d_105ens_1ILEILEQ129
d_106ens_1ALAALAQ134
d_107ens_1ILEILEQ136
d_108ens_1LEUALAQ138 - 193
d_109ens_1THRTHRQ196
d_111ens_1THRASPR2 - 10
d_112ens_1GLYGLYR12
d_113ens_1GLYGLYR14
d_114ens_1ARGGLYR16 - 127
d_115ens_1ILEILER129
d_116ens_1ALAALAR134
d_117ens_1ILEILER136
d_118ens_1LEUALAR138 - 193
d_119ens_1THRTHRR196
d_121ens_1THRASPS2 - 10
d_122ens_1GLYGLYS12
d_123ens_1GLYGLYS14
d_124ens_1ARGGLYS16 - 127
d_125ens_1ILEILES129
d_126ens_1ALAALAS134
d_127ens_1ILEILES136
d_128ens_1LEUALAS138 - 193
d_129ens_1THRTHRS196
d_131ens_1THRASPT2 - 10
d_132ens_1GLYGLYT12
d_133ens_1GLYGLYT14
d_134ens_1ARGGLYT16 - 127
d_135ens_1ILEILET129
d_136ens_1ALAALAT134
d_137ens_1ILEILET136
d_138ens_1LEUALAT138 - 193
d_139ens_1THRTHRT196
d_141ens_1THRASPV2 - 10
d_142ens_1GLYGLYV12
d_143ens_1GLYGLYV14
d_144ens_1ARGGLYV16 - 127
d_145ens_1ILEILEV129
d_146ens_1ALAALAV134
d_147ens_1ILEILEV136
d_148ens_1LEUALAV138 - 193
d_149ens_1THRTHRV196

NCS oper:
IDCodeMatrixVector
1given(0.912122471355, 0.295620647525, 0.283973643156), (0.144898223036, -0.880552711148, 0.451255390939), (0.383454172243, -0.370452906113, -0.846006821569)6.71138258006, -56.2287980013, -0.871216032611
2given(0.982589662505, 0.184975530524, -0.0173668721045), (-0.101725320202, 0.613862685844, 0.78283111982), (0.155465476454, -0.767435115196, 0.62199182438)5.40787073853, -15.1999993784, -20.2845225529
3given(-0.938917772196, 0.0144401486851, -0.343838478302), (0.0399095745241, -0.987809332316, -0.150465773023), (-0.34181960581, -0.154997435772, 0.926895437462)95.8752382778, -44.6796508802, 13.4045308161
4given(-0.94361062334, -0.318375750179, -0.0907517119302), (-0.316864544335, 0.789155790006, 0.526146367129), (-0.0958950054158, 0.525233301303, -0.845537773928)85.5260323239, 2.94599096874, 42.1362791508
5given(0.983437788837, -0.0960035272023, 0.153731708673), (0.179447465789, 0.634938838135, -0.751432817256), (-0.025470031577, 0.766574193795, 0.641650436686)-3.65479527409, -6.23563664517, 23.3924561674
6given(-0.914624358456, -0.145683826776, -0.377145204842), (-0.149250069987, -0.745276850368, 0.649836004631), (-0.375748186328, 0.650644787054, 0.659905039798)92.0809631867, -41.6128930735, 37.1798265588
7given(-0.999970332722, -0.00478597383529, 0.00603557200549), (-0.00735504872658, 0.360470074516, -0.932741780257), (0.00228843466482, -0.932758500274, -0.360494581421)93.7716849082, -1.09055792985, -2.51827096608
8given(-0.912146261805, -0.298512731955, -0.28085467049), (-0.304871217404, 0.036165549155, 0.951706674272), (-0.273939295965, 0.953720190578, -0.123996210469)87.3449883699, -21.1064375808, 50.2185449221
9given(-0.982715705127, -0.182765518807, 0.0294382069966), (-0.18298556844, 0.934933376569, -0.303999774867), (0.0280379143032, -0.304132120158, -0.952217164753)88.7525931954, 11.8200135759, 19.1164895814
10given(0.943561087625, -0.0333046448231, 0.329519763524), (0.315602784419, -0.211297856551, -0.92506653722), (0.100435832184, 0.976854142874, -0.1888613967)-2.85897173185, -30.0026326364, 33.6723165335
11given(0.944646084588, 0.314928589357, 0.0919986873674), (-0.0245700106038, -0.211714169798, 0.977022735092), (0.327169817451, -0.925201109982, -0.192257162771)8.35043314596, -39.9483277927, -20.2391331219
12given(-0.980583190411, 0.100953993773, -0.168121675654), (0.0959992130168, -0.50044357161, -0.860430347404), (-0.170999291763, -0.859863083738, 0.481035050117)97.9405155105, -26.7308958122, -4.55123716487
13given(0.90759030027, 0.144427470945, 0.394234134104), (0.306577179742, -0.869512620621, -0.387244413055), (0.286862823868, 0.472322462114, -0.833439387157)2.06578057205, -51.4449324897, 22.7275643108

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Components

#1: Protein
ATP-dependent Clp protease proteolytic subunit 2 / Endopeptidase Clp 2


Mass: 22071.467 Da / Num. of mol.: 14
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Chlamydia trachomatis (bacteria) / Gene: clpP2 / Production host: Escherichia coli (E. coli) / References: UniProt: Q3KKY8, endopeptidase Clp
#2: Chemical
ChemComp-UER / 1-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-2-methyl-2-[5-(trifluoromethyl)pyridine-2-sulfonyl]propan-1-one


Mass: 489.939 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C21H23ClF3N3O3S / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical
ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Na
#4: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C3H8O3
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 470 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestY

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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: 2.35 Å3/Da / Density % sol: 47.66 %
Crystal growTemperature: 296 K / Method: vapor diffusion, hanging drop / pH: 7
Details: 46.6% v/v pH 7.0 TacsimateTM (Hampton Research) and 0.5 mM polyoxotungstate [TeW6O24]6- (TEW) (Jena Biosciences)

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: ROTATING ANODE / Type: RIGAKU FR-E SUPERBRIGHT / Wavelength: 1.5418 Å
DetectorType: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE / Date: Oct 31, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.5418 Å / Relative weight: 1
ReflectionResolution: 2.66→33.09 Å / Num. obs: 63377 / % possible obs: 90.8 % / Redundancy: 1.9 % / CC1/2: 0.991 / Rmerge(I) obs: 0.079 / Rrim(I) all: 0.112 / Net I/σ(I): 5.1
Reflection shellResolution: 2.66→2.86 Å / Num. unique obs: 3388 / CC1/2: 0.556

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
MOSFLMdata reduction
Aimlessdata scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4JCT

4jct


Resolution: 2.66→33.09 Å / Cross valid method: FREE R-VALUE / σ(F): 57.82 / Phase error: 20.9041
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.21 2184 3.45 %
Rwork0.1735 61193 -
obs0.1749 63377 78.23 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 44.08 Å2
Refinement stepCycle: LAST / Resolution: 2.66→33.09 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms21588 0 224 470 22282
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.005522092
X-RAY DIFFRACTIONf_angle_d1.161429844
X-RAY DIFFRACTIONf_chiral_restr0.05343500
X-RAY DIFFRACTIONf_plane_restr0.01443784
X-RAY DIFFRACTIONf_dihedral_angle_d10.91513096
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS1.70713333517
ens_1d_3AX-RAY DIFFRACTIONTorsion NCS1.47182428169
ens_1d_4AX-RAY DIFFRACTIONTorsion NCS1.49359023231
ens_1d_5AX-RAY DIFFRACTIONTorsion NCS1.59477177613
ens_1d_6AX-RAY DIFFRACTIONTorsion NCS1.57181545219
ens_1d_7AX-RAY DIFFRACTIONTorsion NCS1.84737793178
ens_1d_8AX-RAY DIFFRACTIONTorsion NCS1.65809820204
ens_1d_9AX-RAY DIFFRACTIONTorsion NCS1.7161509009
ens_1d_10AX-RAY DIFFRACTIONTorsion NCS1.65721240318
ens_1d_11AX-RAY DIFFRACTIONTorsion NCS1.44233474506
ens_1d_12AX-RAY DIFFRACTIONTorsion NCS1.44021494084
ens_1d_13AX-RAY DIFFRACTIONTorsion NCS1.47756951091
ens_1d_14AX-RAY DIFFRACTIONTorsion NCS1.45630861371
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.66-2.720.2792140.2792448X-RAY DIFFRACTION8.19
2.72-2.790.3685250.2517934X-RAY DIFFRACTION17.43
2.79-2.860.297510.23381916X-RAY DIFFRACTION35.63
2.86-2.950.28071240.20623289X-RAY DIFFRACTION60.59
2.95-3.040.22411510.19714509X-RAY DIFFRACTION83.83
3.04-3.150.25691660.19784950X-RAY DIFFRACTION91.8
3.15-3.280.24861800.1924942X-RAY DIFFRACTION91.88
3.28-3.430.24051460.17585041X-RAY DIFFRACTION92.77
3.43-3.610.21361710.17324971X-RAY DIFFRACTION92.59
3.61-3.830.21791540.16135044X-RAY DIFFRACTION93.1
3.83-4.130.20121720.15855015X-RAY DIFFRACTION93.01
4.13-4.540.16731620.14345036X-RAY DIFFRACTION93.52
4.54-5.20.17611710.15345100X-RAY DIFFRACTION93.8
5.2-6.540.18831620.19855078X-RAY DIFFRACTION93.98
6.54-33.090.1951840.17365071X-RAY DIFFRACTION94.06
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)
10.922303721119-0.318155027077-0.2024614589731.19561435518-0.4231880974421.31368443696-0.136946081454-0.00583040665972-0.220717905632-0.1484135233640.2077325921940.2757967706420.00111482560776-0.2404831867960.04609948337960.166544785699-0.1137416469850.007053811786640.3086168846970.03249248293930.29302603547131.4374459707-54.68027420264.74564946228
20.6580222695260.2506971687640.05093645264471.607192515110.06825943335760.999860311712-0.06169527779040.123513380941-0.168586443945-0.3314192313730.1877452581690.216631616875-0.0944482090075-0.2746773150850.02510475488880.132420102324-0.00794088242508-0.03476624104640.2794352025040.09119418253390.24398673300920.566794753-1.7881729184527.5146250948
30.98396891208-0.3558229094780.3285759755461.175526967720.08099674479851.96393868645-0.1267442979710.0113169742918-0.0924317578306-0.06130045770080.08154896549330.1974487618750.00321122224106-0.4203935772480.06384584754230.173781203531-0.06366886640930.04858518720010.2369267546170.007912070416020.26575079539826.0279134887-48.121152688129.0222921775
41.40252037512-0.570216957983-0.3335587050191.06541807746-0.3164349311641.38774329052-0.150782136513-0.3805597173810.1059989837290.002097307607290.169865032044-0.348784507609-0.009224489730980.08451998006410.000107148709730.15735473923-0.0626600676107-0.004259594300310.2050942226740.005357378464720.26201361714563.96703776749.5909973109215.4023439728
50.803825413347-0.1663032262560.20259369350.6307441020830.09462467738130.774441928094-0.124318775039-0.08212247941510.162423689740.0542064374019-0.107982599354-0.3083295075770.08545213629120.0729267452229-0.2345590283460.002662261456870.0142438753387-0.06592896859430.2622192959930.10106339490.37668128151772.6201637465-47.50778174266.78453192722
60.650723887016-0.118041920257-0.1052396983280.3350034111520.02795820948990.515509851815-0.130092631496-0.08544957517180.152202307874-0.0713648109205-0.01201698541210.2634913013470.0600322852172-0.214703416734-0.2575416700350.0370087950743-0.150417005203-0.2296195639920.39695702665-0.1707191057640.23888464165433.0011885742-38.2197899048-16.0023793244
71.43335326748-0.6103384445870.3012738935231.475946632470.2826187682471.52840884847-0.0515851868627-0.0821142312369-0.106640398687-0.01395572640310.160149404523-0.246392031119-0.07668015264940.253607799438-0.03331897887870.119904411674-0.0546559555190.02824114923410.21950996464-0.008453693872390.1975227473569.183404477-2.91522197148-7.66727338197
81.571271606380.11775770587-0.817298974591.457812807340.004535449824721.58569542128-0.1240255632410.121561996748-0.1789812004770.1631557920360.0964261196285-0.3400024408270.1845079581490.258180103960.02043101895670.1947161193310.047215082317-0.07906376317840.299908356491-0.003118350513790.16000723261262.6950183812-24.918079596246.7200493972
90.8365671242920.5856553291710.7761590251.97989181818-0.3700194559292.21255696516-0.05054563207970.04303365282810.092038443014-0.00524949135825-0.148846720057-0.08754605930080.1093452043880.1832908099440.04006869724950.120036077482-0.0006112103256240.04320839158340.2911094817650.01639843206770.22136697694273.5001887422-28.5255303121-10.9489287977
101.330973482070.535087076053-0.783893330592.286519028410.04064967774071.47797588102-0.1421345672280.08543144954930.074644383005-0.01488313810370.145863435909-0.2577522577860.1536786923430.179921607181-0.01174727666770.1916121875170.0918110978472-0.01550326463550.2791013752090.0476895392890.2493674534867.9901025427-45.907268417932.0252943086
111.029495752930.0999474023258-0.599386951241.999596921740.1025962919821.460015010260.125186755137-0.0158203196998-0.06026896235830.0905519576549-0.1518493643810.176523582023-0.0540425625663-0.1135557472160.03809393749430.1477971712830.0325325759246-0.05269911533580.203086843939-0.06805678287380.20738910671430.1460066533-12.8510030748-17.0297015999
120.872365435315-0.1038644640830.5321657213911.514437387520.2686477263741.12873802089-0.1473521522790.272416615768-0.06548014697620.0306899050832-0.06541544143450.271205290625-0.161349438249-0.0619219465835-0.03658682085460.267271379509-0.04505174654060.1105142551820.216571521252-0.007472817904320.17663127405221.2946763877-24.638500366539.7769351787
131.4675852168-0.489104046799-1.03534757151.40802227601-0.1884048676561.75334751373-0.0769179052655-0.201158985325-0.2648959155950.000287887448259-0.00844247449508-0.219947315735-0.04462125669460.244249933960.01129834646370.116185457452-0.0147455529921-0.0306981208490.17717356268-0.006456990986470.14813259862960.7732574115-0.44985873049839.0484935514
140.4077308752780.161919321451-0.1714787323031.5192994908-0.2729278849711.661236372650.06188025302410.1520551589-0.286419722066-0.01289043775810.04132166927850.09959497042730.208555460527-0.190906425560.04956223129270.1700290701650.0767758876155-0.02800794358460.2063548330930.02190572598590.23420631104924.44317748083.691414421072.22571907362
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION / Auth seq-ID: 1 - 203 / Label seq-ID: 1 - 203

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-ID
11(chain 'A' and resid 1 through 203)AA
22(chain 'B' and resid 1 through 203)BC
33(chain 'C' and resid 1 through 203)CE
44(chain 'D' and resid 1 through 203)DH
55(chain 'E' and resid 1 through 203)EJ
66(chain 'F' and resid 1 through 203)FK
77(chain 'G' and resid 1 through 203)GL
88(chain 'H' and resid 1 through 203)HO
99(chain 'I' and resid 1 through 203)IP
1010(chain 'J' and resid 1 through 203)JQ
1111(chain 'K' and resid 1 through 203)KR
1212(chain 'L' and resid 1 through 203)LS
1313(chain 'M' and resid 1 through 203)MT
1414(chain 'N' and resid 1 through 203)NV

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