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- PDB-5dpw: Crystal structure of PLEKHM1 LIR in complex with human LC3C_8-125 -

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Basic information

Entry
Database: PDB / ID: 5dpw
TitleCrystal structure of PLEKHM1 LIR in complex with human LC3C_8-125
Components
  • Microtubule-associated proteins 1A/1B light chain 3C
  • Pleckstrin homology domain-containing family M member 1
KeywordsPROTEIN BINDING / Autophagy
Function / homology
Function and homology information


protein exit from endoplasmic reticulum / aggrephagy / late endosome to lysosome transport / autophagosome-lysosome fusion / autolysosome membrane / lysosome localization / phosphatidylethanolamine binding / positive regulation of ruffle assembly / cellular response to nitrogen starvation / Macroautophagy ...protein exit from endoplasmic reticulum / aggrephagy / late endosome to lysosome transport / autophagosome-lysosome fusion / autolysosome membrane / lysosome localization / phosphatidylethanolamine binding / positive regulation of ruffle assembly / cellular response to nitrogen starvation / Macroautophagy / organelle membrane / autolysosome / autophagosome membrane / autophagosome assembly / autophagosome maturation / positive regulation of bone resorption / mitophagy / endomembrane system / autophagosome / cellular response to starvation / macroautophagy / cytoplasmic ribonucleoprotein granule / late endosome membrane / protein transport / cytoplasmic vesicle / microtubule / lysosome / intracellular membrane-bounded organelle / ubiquitin protein ligase binding / nucleolus / zinc ion binding / nucleoplasm / cytosol
Similarity search - Function
Microtubule-associated protein 1A/1B light chain 3C / PLEKHM1, PH domain / : / : / Rubicon Homology Domain / Rubicon Homology Domain / DUF4206 / RUN / RUN domain / RUN domain superfamily ...Microtubule-associated protein 1A/1B light chain 3C / PLEKHM1, PH domain / : / : / Rubicon Homology Domain / Rubicon Homology Domain / DUF4206 / RUN / RUN domain / RUN domain superfamily / RUN domain / RUN domain profile. / Autophagy protein Atg8 ubiquitin-like / Autophagy protein Atg8 ubiquitin like / Zinc finger phorbol-ester/DAG-type profile. / Protein kinase C conserved region 1 (C1) domains (Cysteine-rich domains) / Protein kinase C-like, phorbol ester/diacylglycerol-binding domain / Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 1 / PH domain profile. / Pleckstrin homology domain. / Pleckstrin homology domain / Ubiquitin-like (UB roll) / PH-like domain superfamily / Ubiquitin-like domain superfamily / Roll / Alpha Beta
Similarity search - Domain/homology
Microtubule-associated protein 1 light chain 3 gamma / Pleckstrin homology domain-containing family M member 1
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / Resolution: 2.185 Å
AuthorsRavichandran, A.C. / Suzuki, H. / Dobson, R.C.J.
CitationJournal: EMBO Rep. / Year: 2017
Title: Structural and functional analysis of the GABARAP interaction motif (GIM).
Authors: Rogov, V.V. / Stolz, A. / Ravichandran, A.C. / Rios-Szwed, D.O. / Suzuki, H. / Kniss, A. / Lohr, F. / Wakatsuki, S. / Dotsch, V. / Dikic, I. / Dobson, R.C. / McEwan, D.G.
History
DepositionSep 14, 2015Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 28, 2016Provider: repository / Type: Initial release
Revision 1.1Jun 20, 2018Group: Data collection / Database references / Derived calculations
Category: citation / citation_author ...citation / citation_author / diffrn_source / pdbx_struct_oper_list
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _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 / _diffrn_source.pdbx_synchrotron_site / _pdbx_struct_oper_list.symmetry_operation
Revision 1.2Mar 6, 2024Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Microtubule-associated proteins 1A/1B light chain 3C
B: Pleckstrin homology domain-containing family M member 1
C: Microtubule-associated proteins 1A/1B light chain 3C
D: Pleckstrin homology domain-containing family M member 1
E: Microtubule-associated proteins 1A/1B light chain 3C
F: Pleckstrin homology domain-containing family M member 1
G: Microtubule-associated proteins 1A/1B light chain 3C
H: Pleckstrin homology domain-containing family M member 1
I: Microtubule-associated proteins 1A/1B light chain 3C
J: Pleckstrin homology domain-containing family M member 1
K: Microtubule-associated proteins 1A/1B light chain 3C
L: Pleckstrin homology domain-containing family M member 1
M: Microtubule-associated proteins 1A/1B light chain 3C
N: Pleckstrin homology domain-containing family M member 1
O: Microtubule-associated proteins 1A/1B light chain 3C
P: Pleckstrin homology domain-containing family M member 1


Theoretical massNumber of molelcules
Total (without water)124,43916
Polymers124,43916
Non-polymers00
Water2,882160
1
A: Microtubule-associated proteins 1A/1B light chain 3C
B: Pleckstrin homology domain-containing family M member 1


Theoretical massNumber of molelcules
Total (without water)15,5552
Polymers15,5552
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: Microtubule-associated proteins 1A/1B light chain 3C
D: Pleckstrin homology domain-containing family M member 1


Theoretical massNumber of molelcules
Total (without water)15,5552
Polymers15,5552
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
E: Microtubule-associated proteins 1A/1B light chain 3C
F: Pleckstrin homology domain-containing family M member 1


Theoretical massNumber of molelcules
Total (without water)15,5552
Polymers15,5552
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
G: Microtubule-associated proteins 1A/1B light chain 3C
H: Pleckstrin homology domain-containing family M member 1


Theoretical massNumber of molelcules
Total (without water)15,5552
Polymers15,5552
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
5
I: Microtubule-associated proteins 1A/1B light chain 3C
J: Pleckstrin homology domain-containing family M member 1


Theoretical massNumber of molelcules
Total (without water)15,5552
Polymers15,5552
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
6
K: Microtubule-associated proteins 1A/1B light chain 3C
L: Pleckstrin homology domain-containing family M member 1


Theoretical massNumber of molelcules
Total (without water)15,5552
Polymers15,5552
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
7
M: Microtubule-associated proteins 1A/1B light chain 3C
N: Pleckstrin homology domain-containing family M member 1


Theoretical massNumber of molelcules
Total (without water)15,5552
Polymers15,5552
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
8
O: Microtubule-associated proteins 1A/1B light chain 3C
P: Pleckstrin homology domain-containing family M member 1


Theoretical massNumber of molelcules
Total (without water)15,5552
Polymers15,5552
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)54.140, 73.225, 89.048
Angle α, β, γ (deg.)89.96, 89.99, 77.31
Int Tables number1
Space group name H-MP1

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Components

#1: Protein
Microtubule-associated proteins 1A/1B light chain 3C / Autophagy-related protein LC3 C / Autophagy-related ubiquitin-like modifier LC3 C / MAP1 light ...Autophagy-related protein LC3 C / Autophagy-related ubiquitin-like modifier LC3 C / MAP1 light chain 3-like protein 3 / MAP1A/MAP1B light chain 3 C / MAP1A/MAP1B LC3 C / Microtubule-associated protein 1 light chain 3 gamma


Mass: 13808.062 Da / Num. of mol.: 8 / Fragment: UNP residues 8-125
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: MAP1LC3C / Plasmid: pET30 / Production host: Escherichia coli (E. coli) / Strain (production host): Bl21(de3) / References: UniProt: Q9BXW4
#2: Protein/peptide
Pleckstrin homology domain-containing family M member 1 / PH domain-containing family M member 1 / 162 kDa adapter protein / AP162


Mass: 1746.782 Da / Num. of mol.: 8 / Fragment: UNP residues 629-642
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: PLEKHM1, KIAA0356 / Plasmid: pET30 / Production host: Escherichia coli (E. coli) / Strain (production host): Bl21(de3) / References: UniProt: Q9Y4G2
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 160 / 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: 2.77 Å3/Da / Density % sol: 55.56 %
Crystal growTemperature: 278 K / Method: vapor diffusion, sitting drop
Details: 0.2 M Potassium Phosphate monobasic, 20% w/v Polyethylene glycol 3,350

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.9537 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Apr 9, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9537 Å / Relative weight: 1
ReflectionResolution: 2.185→38.61 Å / Num. obs: 68176 / % possible obs: 98.6 % / Redundancy: 6.6 % / Net I/σ(I): 13.4
Reflection shellResolution: 2.19→2.24 Å / % possible all: 97.8

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Processing

Software
NameVersionClassification
PHENIX1.9_1692refinement
XDSdata reduction
Aimlessdata scaling
MOLREPphasing
RefinementResolution: 2.185→38.61 Å / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 30.78 / Stereochemistry target values: TWIN_LSQ_F
RfactorNum. reflection% reflection
Rfree0.2457 1423 2.09 %
Rwork0.1996 --
obs0.2006 68171 98.59 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 2.185→38.61 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8264 0 0 160 8424
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0048483
X-RAY DIFFRACTIONf_angle_d0.79811459
X-RAY DIFFRACTIONf_dihedral_angle_d17.1313267
X-RAY DIFFRACTIONf_chiral_restr0.031263
X-RAY DIFFRACTIONf_plane_restr0.0041458
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.1853-2.26340.30661130.28286684X-RAY DIFFRACTION96
2.2634-2.3540.30831320.28196636X-RAY DIFFRACTION96
2.354-2.46110.28341750.26366596X-RAY DIFFRACTION95
2.4611-2.59080.31651480.25086608X-RAY DIFFRACTION96
2.5908-2.7530.27171390.25336642X-RAY DIFFRACTION96
2.753-2.96530.26841380.2376702X-RAY DIFFRACTION97
2.9653-3.26340.26781290.21966705X-RAY DIFFRACTION97
3.2634-3.73480.26031290.20086685X-RAY DIFFRACTION97
3.7348-4.70230.20321470.14756727X-RAY DIFFRACTION97
4.7023-29.17650.18911430.15036747X-RAY DIFFRACTION98
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)
10.63730.83520.01721.13240.02180.0074-0.0349-0.2417-0.52920.0928-0.14830.07030.47190.03420.08210.6172-0.03030.16210.52520.06280.637413.224-65.734720.4327
20.00740.0886-0.05162.7101-1.64971.0210.1491-0.1520.3052-0.0633-0.0981-0.15-0.2057-0.037-0.02270.3074-0.04720.0950.4209-0.00170.721516.2981-54.739418.7002
34.36920.94312.40465.6708-1.47482.0501-0.2188-0.1375-0.13210.181-0.19030.2640.3194-0.31420.27310.5624-0.0636-0.20750.37240.10551.077511.4687-48.604310.8392
41.44760.6722-0.45191.7164-0.57962.0354-0.0133-0.0640.0096-0.1644-0.2059-0.2035-0.1624-0.03870.06750.3392-0.00390.15370.3567-0.02470.3114.1429-58.133514.6658
53.58661.496-1.76674.0004-1.25770.95760.0908-0.58460.00060.1391-0.05460.12650.0784-0.1976-0.00980.43280.02430.01910.596-0.07510.5498-1.8838-76.95620.4748
61.06050.1892-0.00110.87520.00090.30660.05770.02230.01370.11870.0895-0.4902-0.06570.2117-0.14290.4335-0.0020.15170.4122-0.09340.30292.8405-62.5810.7922
78.43360.95961.36183.06743.2845.7323-0.00890.26210.2241-0.1516-0.05990.0188-0.30180.0905-0.04350.39750.06350.04150.3551-0.02220.1147-7.3766-54.070311.6628
82.3498-0.67520.19172.44040.68252.71580.15340.1962-0.3542-0.04990.04610.16610.5405-0.3913-0.03910.58670.048-0.05510.4558-0.08850.0858-6.6704-68.338.6065
92.01671.01140.83242.77271.33770.90320.5292-0.25660.1560.06310.0004-0.03830.2950.215-0.31140.3776-0.0472-0.01340.471-0.03540.1866-4.8455-63.403622.8817
101.0870.1914-0.01050.4652-0.15511.57280.0828-0.21250.14280.11530.2435-0.04120.1062-0.08740.17950.45380.12970.19460.634-0.08330.0401-3.038-51.894621.1139
112.60180.3561-2.38352.9675-0.20382.5619-0.0965-0.39830.09960.11250.0449-0.23390.00470.3033-0.29610.25610.07460.12910.6116-0.18940.2126.1503-58.038121.2669
122.12640.2826-0.6422.4188-0.66284.88610.0418-0.14830.05060.1487-0.004-0.0175-0.0660.0666-0.00350.5361-0.05150.0380.51750.00110.0147-5.3877-71.270123.7718
132.87642.13450.64753.33920.28921.6068-0.05650.0114-0.0978-0.08340.1417-0.12170.21870.2731-0.02530.367-0.02810.05140.5471-0.07620.46545.7974-99.34219.9221
140.79930.7704-1.19131.8365-0.80961.8915-0.0148-0.00970.284-0.34330.0538-0.0352-0.24440.0621-0.01170.4041-0.09250.12310.382-0.02031.06785.3186-87.296513.9243
151.03770.2666-0.30282.5177-1.31651.61420.03280.25180.1655-0.19-0.1306-0.2951-0.2427-0.06560.00310.36670.04810.220.37960.01320.5044-4.3595-93.653113.6006
162.67050.81391.33191.88670.99380.89690.039-0.2898-0.0007-0.16280.1682-0.2363-0.0048-0.0119-0.13870.49990.08870.12090.4236-0.14320.6549-9.5593-110.91516.2325
172.26590.2450.66813.9028-0.48242.1710.34150.2938-0.17150.08280.1839-0.1139-0.11270.0583-0.42330.3963-0.0507-0.0240.44030.03780.6173-3.9884-94.3339.212
182.5504-2.28020.4032.7170.23122.66830.0879-0.11120.0987-0.11260.12830.0188-0.00880.2092-0.06350.32040.05040.22840.31990.04850.6031-14.6214-93.30619.7098
190.88460.24390.94291.24561.25671.8487-0.0991-0.03950.01260.11470.2120.35080.2919-0.313-0.02340.6377-0.01520.18120.5088-0.01390.4705-13.2503-106.61225.7411
204.7226-1.28561.36624.4040.35853.7956-0.01560.47710.1345-0.4915-0.04370.1717-0.2293-0.05130.0550.8255-0.1788-0.00621.1009-0.04651.3189-20.9944-108.31499.1236
212.72990.83920.33472.35210.80632.27260.2442-0.07710.05630.2938-0.1180.0270.06660.0267-0.18780.3033-0.01370.14210.4031-0.07060.5612-13.9956-98.450821.275
220.8908-0.49860.32170.3922-0.71152.57930.4147-0.5270.12340.04430.30980.1594-0.1021-0.0795-0.38950.37520.00160.19480.36570.02330.8517-12.9225-86.959218.4807
234.21680.9363-0.97844.6059-0.55352.25380.0998-0.53830.21730.2841-0.1555-0.1298-0.12580.1278-0.02330.2588-0.0350.17320.4744-0.11570.4598-2.5148-92.407620.6669
243.78091.4603-1.41373.3202-1.74896.66940.1954-0.35460.0430.4113-0.03770.1259-0.09690.0064-0.07280.6605-0.1040.32330.3536-0.08540.6676-13.8735-106.726722.8393
255.2543-1.4424-2.73871.16460.87465.02910.0572-0.13570.10340.06970.00740.0926-0.17320.0153-0.12790.6348-0.06590.4570.4252-0.04880.6385-26.7414-66.262940.7715
261.54510.97471.64952.06551.30174.0449-0.05480.1013-0.032-0.140.26740.09660.4491-0.2462-0.06460.4783-0.04830.13350.4689-0.04240.2134-30.9079-78.375239.0262
271.74120.5320.45543.490.65691.85950.10980.2865-0.0756-0.0852-0.08130.16830.2214-0.1057-0.0480.3463-0.05720.10340.4184-0.00620.2193-29.6881-75.435228.7332
280.06860.3002-0.60341.3987-2.87275.9233-0.064-0.23940.41050.27740.3091-0.0998-0.25450.1593-0.14651.0875-0.19860.08210.426-0.05530.4777-17.5445-55.361731.411
290.65890.99010.2013.4636-0.67870.5376-0.0593-0.22530.03680.1249-0.0690.2776-0.0895-0.1228-0.06140.5355-0.02990.33190.3599-0.06550.6128-29.4366-61.875628.7525
302.4658-1.3067-1.46471.49170.55872.58750.1081-0.1338-0.0971-0.3261-0.01550.02960.25930.0874-0.14490.30770.02050.05640.33720.03050.3141-26.2454-76.410321.5019
311.0267-0.8136-0.35111.38620.20760.83780.02140.13030.0604-0.08930.0599-0.02980.0533-0.11110.02390.39360.10450.1770.40020.02580.2264-25.5582-66.661118.9948
322.41230.7773-2.26980.2542-0.72862.13920.03020.08790.3617-0.10310.0994-0.3953-0.29060.2279-0.09110.5479-0.06920.12690.58380.1260.8538-23.2088-54.934417.7267
330.93720.3856-0.99751.1754-1.35413.00130.03590.09740.12450.01270.1076-0.0186-0.01450.12960.05780.3550.00890.1880.6072-0.10120.1701-16.3265-66.25426.1423
343.1541.43392.38743.71781.3567.8162-0.0268-0.34160.34860.1317-0.11150.2561-0.1376-0.33480.1520.5007-0.09640.09680.48530.08080.3094-12.8464-70.731326.282
350.06210.0254-0.22250.02410.02243.33-0.094-0.1275-0.02960.0210.0039-0.04790.24760.0863-0.02180.53510.03430.01740.4145-0.12730.139-18.4341-79.819526.775
360.53890.0461-0.16650.77660.26210.6460.0828-0.08190.2630.16160.1865-0.1259-0.03330.1761-0.01610.386-0.11490.23110.5487-0.12520.1577-18.0617-67.611731.6348
373.85311.52770.05091.56612.18585.00280.0277-0.17460.4330.1251-0.0465-0.1604-0.41620.10390.01520.6119-0.02370.18920.4218-0.06590.3957-34.404-101.075239.6693
382.21221.72151.32281.54951.44094.3579-0.19040.12760.03420.03980.0388-0.04430.2541-0.20560.09310.5165-0.01650.27120.4074-0.02170.5796-38.9994-112.361540.3584
390.78970.3858-0.35220.1901-0.17150.1572-0.03230.11280.0625-0.0467-0.03240.00870.0984-0.08060.03340.8933-0.08060.30610.59310.0390.7704-44.0771-117.773528.9157
401.32210.2107-0.74481.52040.24311.5323-0.1448-0.1435-0.05360.0577-0.2261-0.08820.2160.1885-0.49880.3387-0.03060.40810.4461-0.14060.2653-32.7628-104.772729.1966
413.4680.4131-1.5593.002-1.41662.9379-0.0053-0.07830.32010.1396-0.0504-0.1604-0.21450.1209-0.06240.668-0.0253-0.01130.2838-0.04430.7264-33.8654-92.901926.7682
422.3691-0.1762-1.61440.657-0.22982.21750.0264-0.0003-0.0837-0.3017-0.0436-0.1795-0.0073-0.0779-0.01320.4002-0.0650.26690.367-0.04710.4908-35.6425-110.762622.4848
431.2115-0.20540.6440.63070.25761.1499-0.08530.2470.3168-0.0658-0.0952-0.00540.03640.1674-0.11370.3709-0.0460.26090.4384-0.04740.5446-34.2274-98.558217.6434
440.04480.2174-0.2031.1753-1.08631.0053-0.0760.49220.5932-0.3776-0.0346-0.0753-0.56530.00250.07110.6993-0.0404-0.00540.50110.12810.9643-27.6845-92.676317.3585
451.5837-0.73630.77074.4229-2.18433.8646-0.0228-0.1974-0.04660.03040.0071-0.0876-0.19710.3329-0.02830.45940.04820.29190.38660.04480.5269-24.3206-103.112625.921
460.9920.68190.23180.50020.13720.0884-0.2496-0.2581-0.1767-0.0346-0.0873-0.04880.0560.3437-0.37470.2848-0.11630.810.3930.0050.6834-25.0637-111.024323.4979
472.0731-1.3545-2.16071.11520.90575.03480.25590.1107-0.2758-0.3076-0.2268-0.02930.42480.10490.01040.65110.13670.17940.45330.16660.7593-26.2082-115.989529.7709
481.41510.7692-0.23921.3304-0.1330.8321-0.0597-0.31150.2114-0.05510.0677-0.25-0.02380.3365-0.070.2952-0.00230.1620.4380.03120.5326-26.6654-103.239830.3781
490.0913-0.45410.11582.8827-0.75140.2177-0.05140.1356-0.50150.03310.0144-0.14480.48650.01820.00210.7371-0.0695-0.02220.3591-0.0270.387-3.5282-77.8722-4.0115
500.88330.4015-0.15870.4039-0.14371.9977-0.2412-0.02380.3497-0.21650.01040.0583-0.29650.0915-0.01290.685-0.0877-0.3090.3970.01340.33910.8545-65.2353-5.4832
512.3650.9049-0.52182.6239-0.32311.19250.14890.0180.15150.33060.1579-0.28510.09180.0504-0.04460.48770.022-0.29980.2560.08380.6741-2.9076-70.8998-15.1231
526.15884.43234.62168.50180.60515.32830.0609-0.6740.08330.6329-0.1270.46060.1757-0.40520.02270.52480.0930.06730.3653-0.07090.5308-11.5734-89.5473-16.6238
534.857-2.05290.02640.91210.08274.16850.17070.0956-0.3831-0.04050.1279-0.11750.38390.184-0.18190.71140.01290.02950.3618-0.01620.22620.4716-81.1762-15.4107
543.32280.27131.18492.56110.17332.41210.09490.07770.3285-0.3986-0.0564-0.0499-0.1867-0.123-0.1290.40290.0262-0.06860.337-0.05650.2232-4.3465-68.6532-23.2645
551.1512-0.0943-0.1322.4027-0.2611.27330.45780.2507-0.393-0.06330.107-0.01050.3356-0.1774-0.38910.42750.0148-0.06880.33620.01650.6751-5.1115-84.0219-25.7178
562.3306-0.3085-0.45112.1704-0.44250.2139-0.2652-0.2167-0.01280.37750.07880.04780.1257-0.29240.1490.3501-0.0577-0.13670.30230.07350.4294-14.6542-76.8467-17.2762
571.71762.0687-0.40612.8291-0.07830.6466-0.0788-0.10880.0569-0.1842-0.22850.027-0.0213-0.13480.30410.39090.0116-0.19280.2471-0.00360.5866-13.5586-66.5818-22.8915
586.77540.27190.01416.8139-3.89793.5184-0.2324-0.50570.08010.36870.1068-0.2108-0.62390.06870.17250.48550.11730.10140.42180.00430.4365-11.85-62.5215-13.0848
592.19750.65820.93833.35132.1594.0860.06330.0273-0.0330.34660.3008-0.1283-0.0449-0.199-0.29280.3836-0.0224-0.16230.29650.05790.5387-7.5138-70.0184-11.3165
602.57310.4271-0.68362.3780.47472.32470.2195-0.1786-0.18170.27260.09020.59030.1056-0.0962-0.1460.3802-0.0578-0.14680.28230.0780.666-17.7344-83.1645-16.0825
610.3581-0.9653-0.04732.83240.11840.0127-0.0321-0.1111-0.62710.1276-0.04180.49660.4372-0.07560.04770.7094-0.196-0.16150.39350.1350.6023-12.1833-113.9243-5.8048
621.32450.3727-0.02210.98560.05373.1387-0.1377-0.00450.005-0.11210.03920.06350.162-0.0128-0.19730.632-0.0884-0.21070.4807-0.05980.2097-7.9881-104.392-4.1641
635.16382.79280.73453.0020.89232.6072-0.0379-0.05360.1455-0.14720.07740.1033-0.1649-0.05740.04311.0053-0.2777-0.40780.45920.09880.6785-2.4612-97.0154-14.0556
641.64310.30020.05450.4492-0.0160.00540.20210.4088-0.0394-0.4235-0.04710.29310.0126-0.1873-0.09140.662-0.0874-0.20710.34180.13060.7161-4.3217-96.5675-19.8711
651.61621.8707-0.6713.9-1.41411.33460.0764-0.2741-0.35660.19410.03820.02190.1282-0.1228-0.01040.47080.0407-0.17650.29680.04450.4685-14.7442-112.5255-14.2712
662.7007-0.42860.40533.60270.27982.56460.1933-0.1371-0.1410.04760.22150.02970.3937-0.0489-0.05910.56560.017-0.32210.36920.17020.9089-13.8139-121.4715-16.6177
671.9011-0.17530.52491.7482-0.10221.9804-0.11970.16120.3276-0.4385-0.061-0.0272-0.22430.15920.08710.5524-0.0438-0.18280.34820.04650.2925-12.0817-106.9669-24.7867
684.14370.8857-0.24624.0857-0.75122.52110.09580.3258-0.3236-0.39240.06580.1455-0.0317-0.4613-0.10610.5017-0.0572-0.06130.4573-0.02771.1279-11.8523-122.5751-26.6491
691.8057-0.61190.02562.14490.0271.5396-0.1034-0.2019-0.30790.16780.21520.1826-0.0054-0.27150.07160.3161-0.0615-0.17830.3498-0.0010.6202-22.3234-113.1422-19.5596
701.0134-0.4915-0.28771.9928-0.12962.0151-0.3307-0.15420.26620.3260.17070.1850.0677-0.1919-0.02680.5310.0193-0.34290.2490.00450.8093-19.8763-99.9318-20.7183
712.95551.84722.12673.44490.42181.9013-0.0689-0.31150.10450.3901-0.1230.2438-0.2274-0.09610.10380.6004-0.0316-0.24290.3167-0.02850.6307-15.2685-104.0193-10.5917
722.288-1.0583-1.51380.55640.46911.77510.3269-0.15730.01540.26780.34330.08460.0367-0.0523-0.40010.3844-0.0313-0.15120.26610.11460.8866-24.0096-118.3926-17.1405
733.99491.0892-0.33721.91652.26164.05-0.291-0.21340.16370.1047-0.0862-0.0079-0.44890.01850.20680.3909-0.0114-0.07640.4289-0.12670.5757-41.9084-76.7664-24.6608
742.64642.7299-0.83336.0781-0.83480.47820.0451-0.04230.1998-0.0873-0.2071-0.0398-0.04140.07260.1230.30770.0924-0.03620.5729-0.18430.8134-46.7588-81.3011-23.7113
750.52330.1949-0.36852.35942.73583.8787-0.0442-0.2041-0.1358-0.18460.02350.1136-0.0307-0.07840.01540.37340.0329-0.03910.3924-0.06410.988-44.4589-90.6561-28.4321
760.74010.42170.27793.79191.68411.83320.14180.1506-0.0165-0.123-0.11820.16260.1703-0.2268-0.02940.43080.0061-0.17250.31390.04760.752-35.4438-85.6751-30.3791
772.62.52031.41613.82261.12150.8289-0.2699-0.06410.1042-0.5254-0.15230.262-0.16910.01380.29470.44680.0416-0.07040.28270.04660.6551-31.2938-70.3368-30.0683
783.285-0.35440.95992.4667-0.82792.3728-0.20890.1674-0.3436-0.1406-0.0299-0.02860.2672-0.02650.14360.4449-0.0860.07790.3278-0.03280.3964-31.9869-89.8926-33.9296
793.8518-2.12760.18912.1951-0.09684.50860.2684-0.0504-0.2284-0.54640.0455-0.5162-0.12780.263-0.17610.31150.0110.05060.3267-0.13560.6216-23.6406-83.6984-33.8017
801.0918-1.19810.06211.3245-0.19571.7524-0.0845-0.14380.20450.0151-0.0955-0.3213-0.06630.17370.04690.5545-0.01490.08950.37140.00850.5257-24.9453-71.5753-38.0362
812.2584-2.19061.83933.5919-0.10383.5572-0.28260.26720.2505-0.2349-0.1387-0.4717-0.34470.4150.25730.3951-0.0787-0.0980.433-0.06890.4664-21.0817-73.3529-29.2214
823.09560.29730.34931.1060.7771.883-0.0791-0.04040.09120.02260.0210.1538-0.1069-0.13140.06260.3238-0.075-0.28530.28840.10690.947-24.9695-82.8721-20.8805
831.2546-1.1308-0.74981.43771.18392.11510.2103-0.1733-0.24550.05420.2286-0.2420.1445-0.1703-0.21110.42940.0042-0.21150.33630.12930.8911-27.6535-92.5363-24.0069
842.13881.5693-0.96392.84040.4141.1581-0.09770.04480.05690.5974-0.06950.1155-0.1481-0.29030.19670.3570.0072-0.12690.30930.04330.5265-31.3454-79.8469-22.0784
852.5895-0.71180.02016.82560.51520.041-0.1018-0.46930.33730.2259-0.21490.1879-0.4897-0.29980.15940.5164-0.0237-0.1270.4334-0.03930.5526-34.1851-40.8937-25.0872
862.126-0.9-1.19063.29432.11943.68350.36350.0366-0.3702-0.17670.18820.29260.1769-0.0338-0.38970.3602-0.0516-0.1090.44680.01020.5149-37.0511-53.0576-27.8404
871.06970.2950.01022.79440.92741.47880.1860.1362-0.09750.0268-0.0862-0.04230.1607-0.1402-0.09090.3547-0.0101-0.1480.31330.05940.4106-27.0086-50.1047-31.3729
882.87321.4729-0.0443.6672-1.16923.27880.006-0.0740.0432-0.1804-0.2009-0.0476-0.0007-0.06080.0880.6981-0.05260.03160.37570.21751.0865-20.213-31.1099-27.2349
891.0850.5749-0.11141.1185-0.00841.65370.18060.179-0.0366-0.09580.0003-0.1922-0.063-0.2943-0.09760.43250.009-0.20240.31940.06250.5671-24.4175-48.9213-35.1776
902.7122-0.1033-1.02190.0104-0.05491.79750.1852-0.0634-0.0782-0.1475-0.052-0.3093-0.11990.2767-0.08320.29430.03210.12870.3501-0.02040.5762-14.4862-49.2126-34.1369
911.1250.7885-0.63311.6161-1.04272.64430.12830.19650.09090.0551-0.0284-0.0914-0.02350.1238-0.00450.5582-0.00380.17050.4305-0.00080.1827-18.3463-39.6586-38.4155
922.4828-0.0573-0.42830.61131.06641.954-0.10130.53130.11180.0401-0.02830.04180.03610.06850.03030.3851-0.1126-0.14590.3960.08720.9747-12.5928-35.8663-32.21
930.57210.70980.31341.66081.18781.50010.1393-0.0564-0.12530.05350.26170.06240.15780.15310.13530.4058-0.0838-0.32480.30560.09910.8329-16.2442-50.9797-24.3172
940.1874-0.69580.00873.4112-0.50850.5701-0.0253-0.0215-0.0769-0.10120.07850.24130.1185-0.1168-0.18870.4792-0.1212-0.28110.35940.39990.8638-22.0436-57.4354-22.699
952.86681.73970.28913.2267-0.27140.86990.2359-0.1248-0.11630.0654-0.0923-0.00970.1872-0.3043-0.04850.5137-0.1504-0.26120.40660.16940.5096-28.0111-50.4325-23.915
962.29890.89640.19111.6977-0.33830.148-0.0718-0.02180.22670.44020.2762-0.2265-0.18-0.0138-0.14260.37360.0695-0.09090.2460.00040.4772-16.0601-36.7074-22.3057
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1(chain A and resid 1:8)
2X-RAY DIFFRACTION2(chain A and resid 9:18)
3X-RAY DIFFRACTION3(chain A and resid 19:22)
4X-RAY DIFFRACTION4(chain A and resid 23:34)
5X-RAY DIFFRACTION5(chain A and resid 35:39)
6X-RAY DIFFRACTION6(chain A and resid 40:52)
7X-RAY DIFFRACTION7(chain A and resid 53:58)
8X-RAY DIFFRACTION8(chain A and resid 59:74)
9X-RAY DIFFRACTION9(chain A and resid 75:85)
10X-RAY DIFFRACTION10(chain A and resid 86:100)
11X-RAY DIFFRACTION11(chain A and resid 101:108)
12X-RAY DIFFRACTION12(chain A and resid 109:115)
13X-RAY DIFFRACTION13(chain C and resid 1:11)
14X-RAY DIFFRACTION14(chain C and resid 12:22)
15X-RAY DIFFRACTION15(chain C and resid 23:34)
16X-RAY DIFFRACTION16(chain C and resid 35:43)
17X-RAY DIFFRACTION17(chain C and resid 44:52)
18X-RAY DIFFRACTION18(chain C and resid 53:63)
19X-RAY DIFFRACTION19(chain C and resid 64:70)
20X-RAY DIFFRACTION20(chain C and resid 71:74)
21X-RAY DIFFRACTION21(chain C and resid 75:86)
22X-RAY DIFFRACTION22(chain C and resid 87:98)
23X-RAY DIFFRACTION23(chain C and resid 99:108)
24X-RAY DIFFRACTION24(chain C and resid 109:115)
25X-RAY DIFFRACTION25(chain E and resid 1:7)
26X-RAY DIFFRACTION26(chain E and resid 8:20)
27X-RAY DIFFRACTION27(chain E and resid 21:33)
28X-RAY DIFFRACTION28(chain E and resid 34:39)
29X-RAY DIFFRACTION29(chain E and resid 40:47)
30X-RAY DIFFRACTION30(chain E and resid 48:56)
31X-RAY DIFFRACTION31(chain E and resid 57:66)
32X-RAY DIFFRACTION32(chain E and resid 67:74)
33X-RAY DIFFRACTION33(chain E and resid 75:80)
34X-RAY DIFFRACTION34(chain E and resid 81:87)
35X-RAY DIFFRACTION35(chain E and resid 88:100)
36X-RAY DIFFRACTION36(chain E and resid 101:115)
37X-RAY DIFFRACTION37(chain G and resid 1:6)
38X-RAY DIFFRACTION38(chain G and resid 7:18)
39X-RAY DIFFRACTION39(chain G and resid 19:23)
40X-RAY DIFFRACTION40(chain G and resid 24:36)
41X-RAY DIFFRACTION41(chain G and resid 37:45)
42X-RAY DIFFRACTION42(chain G and resid 46:56)
43X-RAY DIFFRACTION43(chain G and resid 57:71)
44X-RAY DIFFRACTION44(chain G and resid 72:75)
45X-RAY DIFFRACTION45(chain G and resid 76:80)
46X-RAY DIFFRACTION46(chain G and resid 81:95)
47X-RAY DIFFRACTION47(chain G and resid 96:100)
48X-RAY DIFFRACTION48(chain G and resid 101:115)
49X-RAY DIFFRACTION49(chain I and resid 1:6)
50X-RAY DIFFRACTION50(chain I and resid 7:21)
51X-RAY DIFFRACTION51(chain I and resid 22:35)
52X-RAY DIFFRACTION52(chain I and resid 36:41)
53X-RAY DIFFRACTION53(chain I and resid 42:46)
54X-RAY DIFFRACTION54(chain I and resid 47:59)
55X-RAY DIFFRACTION55(chain I and resid 60:73)
56X-RAY DIFFRACTION56(chain I and resid 74:83)
57X-RAY DIFFRACTION57(chain I and resid 84:94)
58X-RAY DIFFRACTION58(chain I and resid 95:101)
59X-RAY DIFFRACTION59(chain I and resid 102:108)
60X-RAY DIFFRACTION60(chain I and resid 109:115)
61X-RAY DIFFRACTION61(chain K and resid 1:4)
62X-RAY DIFFRACTION62(chain K and resid 5:18)
63X-RAY DIFFRACTION63(chain K and resid 19:22)
64X-RAY DIFFRACTION64(chain K and resid 23:26)
65X-RAY DIFFRACTION65(chain K and resid 27:35)
66X-RAY DIFFRACTION66(chain K and resid 36:46)
67X-RAY DIFFRACTION67(chain K and resid 47:64)
68X-RAY DIFFRACTION68(chain K and resid 65:72)
69X-RAY DIFFRACTION69(chain K and resid 73:85)
70X-RAY DIFFRACTION70(chain K and resid 86:99)
71X-RAY DIFFRACTION71(chain K and resid 100:107)
72X-RAY DIFFRACTION72(chain K and resid 108:115)
73X-RAY DIFFRACTION73(chain M and resid 1:4)
74X-RAY DIFFRACTION74(chain M and resid 5:11)
75X-RAY DIFFRACTION75(chain M and resid 12:20)
76X-RAY DIFFRACTION76(chain M and resid 21:35)
77X-RAY DIFFRACTION77(chain M and resid 36:46)
78X-RAY DIFFRACTION78(chain M and resid 47:53)
79X-RAY DIFFRACTION79(chain M and resid 54:64)
80X-RAY DIFFRACTION80(chain M and resid 65:71)
81X-RAY DIFFRACTION81(chain M and resid 72:77)
82X-RAY DIFFRACTION82(chain M and resid 78:87)
83X-RAY DIFFRACTION83(chain M and resid 88:99)
84X-RAY DIFFRACTION84(chain M and resid 100:115)
85X-RAY DIFFRACTION85(chain O and resid 1:6)
86X-RAY DIFFRACTION86(chain O and resid 7:20)
87X-RAY DIFFRACTION87(chain O and resid 21:35)
88X-RAY DIFFRACTION88(chain O and resid 36:41)
89X-RAY DIFFRACTION89(chain O and resid 42:54)
90X-RAY DIFFRACTION90(chain O and resid 55:61)
91X-RAY DIFFRACTION91(chain O and resid 62:69)
92X-RAY DIFFRACTION92(chain O and resid 70:77)
93X-RAY DIFFRACTION93(chain O and resid 78:94)
94X-RAY DIFFRACTION94(chain O and resid 95:99)
95X-RAY DIFFRACTION95(chain O and resid 100:108)
96X-RAY DIFFRACTION96(chain O and resid 109:115)

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