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- PDB-4nee: crystal structure of AP-2 alpha/simga2 complex bound to HIV-1 Nef -

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Basic information

Entry
Database: PDB / ID: 4nee
Titlecrystal structure of AP-2 alpha/simga2 complex bound to HIV-1 Nef
Components
  • AP-2 complex subunit alpha-2
  • AP-2 complex subunit sigma
  • Protein Nef
KeywordsVIRAL PROTEIN/PROTEIN TRANSPORT / clathrin Adaptor AP-2 / HIV-1 Nef / CD4 downregulation / VIRAL PROTEIN-PROTEIN TRANSPORT complex
Function / homology
Function and homology information


Nef mediated downregulation of CD28 cell surface expression / perturbation by virus of host immune response / Late Phase of HIV Life Cycle / negative regulation of CD4 production / symbiont-mediated suppression of host T-cell mediated immune response / WNT5A-dependent internalization of FZD2, FZD5 and ROR2 / LDL clearance / VLDLR internalisation and degradation / Retrograde neurotrophin signalling / Nef Mediated CD8 Down-regulation ...Nef mediated downregulation of CD28 cell surface expression / perturbation by virus of host immune response / Late Phase of HIV Life Cycle / negative regulation of CD4 production / symbiont-mediated suppression of host T-cell mediated immune response / WNT5A-dependent internalization of FZD2, FZD5 and ROR2 / LDL clearance / VLDLR internalisation and degradation / Retrograde neurotrophin signalling / Nef Mediated CD8 Down-regulation / protein trimerization / WNT5A-dependent internalization of FZD4 / extrinsic component of presynaptic endocytic zone membrane / symbiont-mediated suppression of host antigen processing and presentation of peptide antigen via MHC class I / MHC class II antigen presentation / AP-2 adaptor complex / symbiont-mediated suppression of host antigen processing and presentation of peptide antigen via MHC class II / postsynaptic neurotransmitter receptor internalization / Recycling pathway of L1 / Cargo recognition for clathrin-mediated endocytosis / suppression by virus of host autophagy / Clathrin-mediated endocytosis / clathrin adaptor activity / membrane coat / clathrin-dependent endocytosis / protein serine/threonine kinase binding / thioesterase binding / CD4 receptor binding / Nef and signal transduction / Nef Mediated CD4 Down-regulation / Neutrophil degranulation / Uncoating of the HIV Virion / host cell Golgi membrane / Trafficking of GluR2-containing AMPA receptors / synaptic vesicle endocytosis / MHC class I protein binding / Binding and entry of HIV virion / regulation of calcium-mediated signaling / vesicle-mediated transport / viral life cycle / phosphatidylinositol binding / Nef mediated downregulation of MHC class I complex cell surface expression / virion component / intracellular protein transport / Assembly Of The HIV Virion / Budding and maturation of HIV virion / SH3 domain binding / kinase binding / disordered domain specific binding / synaptic vesicle / ATPase binding / cytoplasmic vesicle / postsynapse / protein domain specific binding / signaling receptor binding / intracellular membrane-bounded organelle / glutamatergic synapse / synapse / protein-containing complex binding / GTP binding / protein kinase binding / host cell plasma membrane / extracellular region / membrane / plasma membrane
Similarity search - Function
Nef Regulatory Factor / Nef Regulatory Factor / Beta-Lactamase - #60 / AP-2 complex subunit sigma / Clathrin adaptor, alpha-adaptin, appendage, C-terminal subdomain / Adaptor protein complex AP-2, alpha subunit / Alpha adaptin AP2, C-terminal domain / HIV-1 Nef protein, anchor domain superfamily / Adaptor protein complex, sigma subunit / HIV negative factor Nef ...Nef Regulatory Factor / Nef Regulatory Factor / Beta-Lactamase - #60 / AP-2 complex subunit sigma / Clathrin adaptor, alpha-adaptin, appendage, C-terminal subdomain / Adaptor protein complex AP-2, alpha subunit / Alpha adaptin AP2, C-terminal domain / HIV-1 Nef protein, anchor domain superfamily / Adaptor protein complex, sigma subunit / HIV negative factor Nef / HIV-1 Nef protein, core domain superfamily / Negative factor, (F-Protein) or Nef / Clathrin adaptor complex, small chain / Clathrin adaptor complexes small chain signature. / Coatomer/calthrin adaptor appendage, C-terminal subdomain / AP complex, mu/sigma subunit / Clathrin adaptor complex small chain / Clathrin adaptor, alpha/beta/gamma-adaptin, appendage, Ig-like subdomain / Adaptin C-terminal domain / Adaptin C-terminal domain / Clathrin/coatomer adaptor, adaptin-like, N-terminal / Adaptin N terminal region / Clathrin adaptor, appendage, Ig-like subdomain superfamily / Longin-like domain superfamily / TBP domain superfamily / Leucine-rich Repeat Variant / Leucine-rich Repeat Variant / Beta-Lactamase / Armadillo-like helical / Alpha Horseshoe / Armadillo-type fold / 2-Layer Sandwich / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
Protein Nef / AP-2 complex subunit alpha-2 / AP-2 complex subunit sigma / AP-2 complex subunit alpha / Protein Nef
Similarity search - Component
Biological speciesRattus norvegicus (Norway rat)
Human immunodeficiency virus 1
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.8841 Å
AuthorsHurley, J.H. / Bonifacino, J.S. / Ren, X. / Park, S.Y.
CitationJournal: Elife / Year: 2014
Title: How HIV-1 Nef hijacks the AP-2 clathrin adaptor to downregulate CD4.
Authors: Ren, X. / Park, S.Y. / Bonifacino, J.S. / Hurley, J.H.
History
DepositionOct 29, 2013Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 29, 2014Provider: repository / Type: Initial release
Revision 1.1Mar 5, 2014Group: Database references
Revision 1.2Sep 20, 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
D: AP-2 complex subunit sigma
L: AP-2 complex subunit sigma
F: AP-2 complex subunit sigma
I: AP-2 complex subunit sigma
G: AP-2 complex subunit alpha-2
B: AP-2 complex subunit alpha-2
J: AP-2 complex subunit alpha-2
A: AP-2 complex subunit alpha-2
E: Protein Nef
H: Protein Nef
K: Protein Nef
C: Protein Nef


Theoretical massNumber of molelcules
Total (without water)316,39612
Polymers316,39612
Non-polymers00
Water0
1
D: AP-2 complex subunit sigma
B: AP-2 complex subunit alpha-2
C: Protein Nef


Theoretical massNumber of molelcules
Total (without water)79,0993
Polymers79,0993
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7140 Å2
ΔGint-21 kcal/mol
Surface area29580 Å2
MethodPISA
2
L: AP-2 complex subunit sigma
J: AP-2 complex subunit alpha-2
K: Protein Nef


Theoretical massNumber of molelcules
Total (without water)79,0993
Polymers79,0993
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7250 Å2
ΔGint-22 kcal/mol
Surface area29890 Å2
MethodPISA
3
F: AP-2 complex subunit sigma
A: AP-2 complex subunit alpha-2
E: Protein Nef


Theoretical massNumber of molelcules
Total (without water)79,0993
Polymers79,0993
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7110 Å2
ΔGint-22 kcal/mol
Surface area29270 Å2
MethodPISA
4
I: AP-2 complex subunit sigma
G: AP-2 complex subunit alpha-2
H: Protein Nef


Theoretical massNumber of molelcules
Total (without water)79,0993
Polymers79,0993
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7000 Å2
ΔGint-22 kcal/mol
Surface area29640 Å2
MethodPISA
Unit cell
Length a, b, c (Å)109.558, 168.034, 200.204
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

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Components

#1: Protein
AP-2 complex subunit sigma / Adapter-related protein complex 2 subunit sigma / Adaptor protein complex AP-2 subunit sigma / ...Adapter-related protein complex 2 subunit sigma / Adaptor protein complex AP-2 subunit sigma / Clathrin assembly protein 2 sigma small chain / Clathrin coat assembly protein AP17 / Clathrin coat-associated protein AP17 / Plasma membrane adaptor AP-2 17 kDa protein / Sigma-adaptin 3b / Sigma2-adaptin


Mass: 17038.688 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Rattus norvegicus (Norway rat) / Gene: Ap2s1, Ap17, Claps2 / Production host: Escherichia coli (E. coli) / References: UniProt: P62744
#2: Protein
AP-2 complex subunit alpha-2 / Adaptor-related protein complex 2 / alpha 2 subunit


Mass: 44389.285 Da / Num. of mol.: 4 / Fragment: Residues 1-396
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Rattus norvegicus (Norway rat) / Gene: Ap17, Ap2a2, Ap2s1, Claps2 / Production host: Escherichia coli (E. coli) / References: UniProt: Q66HM2, UniProt: P18484*PLUS
#3: Protein
Protein Nef


Mass: 17670.990 Da / Num. of mol.: 4 / Fragment: HIV-1 Nef, residues 54-203
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Human immunodeficiency virus 1 / Gene: nef / Production host: Escherichia coli (E. coli) / References: UniProt: Q90VU7, UniProt: P04601*PLUS
Sequence detailsTHE N-TERMINAL SEQUENCE OF THE PROTEIN is GAMGSACAWLEAQE. DUE TO THE PRESENCE OF A FLEXIBLE LOOP ...THE N-TERMINAL SEQUENCE OF THE PROTEIN is GAMGSACAWLEAQE. DUE TO THE PRESENCE OF A FLEXIBLE LOOP THE REGISTRATION OF THE MODEL SEQUENCE IS UNKNOWN.

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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: 2.91 Å3/Da / Density % sol: 57.76 %
Crystal growTemperature: 288 K / Method: vapor diffusion, sitting drop / pH: 9.5
Details: 70mM CHES pH 9.5, 140mM NaCl, 7% PEG8000, 21% glycerol, 0.2mM inositol hexakisphosphate (IP6), VAPOR DIFFUSION, SITTING DROP, temperature 288K

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Data collection

DiffractionMean temperature: 200 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Jul 10, 2013
RadiationMonochromator: Si (111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.884→50 Å / Num. all: 83709 / Num. obs: 80188 / % possible obs: 95.7 % / Observed criterion σ(I): -3 / Redundancy: 5.2 % / Rmerge(I) obs: 0.184
Reflection shellResolution: 2.884→3 Å / % possible all: 80.2

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Processing

Software
NameVersionClassification
HKL-2000data collection
PHASERphasing
PHENIX(phenix.refine: 1.8.3_1479)refinement
HKL-2000data reduction
HKL-2000data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 3REA

3rea


Resolution: 2.8841→48.88 Å / SU ML: 0.4 / σ(F): 1.42 / Phase error: 25.12 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2668 4014 5.01 %Random
Rwork0.2194 ---
obs0.2218 80121 95.53 %-
all-80188 --
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 2.8841→48.88 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms21530 0 0 0 21530
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01521985
X-RAY DIFFRACTIONf_angle_d1.15929768
X-RAY DIFFRACTIONf_dihedral_angle_d14.2868144
X-RAY DIFFRACTIONf_chiral_restr0.0693364
X-RAY DIFFRACTIONf_plane_restr0.0073802
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.8841-2.9180.3936810.3521442X-RAY DIFFRACTION54
2.918-2.95360.40291220.33822394X-RAY DIFFRACTION87
2.9536-2.9910.35831260.32572466X-RAY DIFFRACTION91
2.991-3.03030.34841470.31152542X-RAY DIFFRACTION94
3.0303-3.07180.35451370.30452525X-RAY DIFFRACTION93
3.0718-3.11570.33151300.29432565X-RAY DIFFRACTION94
3.1157-3.16220.34251350.28472551X-RAY DIFFRACTION95
3.1622-3.21160.31851380.28762624X-RAY DIFFRACTION96
3.2116-3.26420.31481570.27172584X-RAY DIFFRACTION96
3.2642-3.32050.32231230.27482648X-RAY DIFFRACTION97
3.3205-3.38090.3351370.25822625X-RAY DIFFRACTION97
3.3809-3.44590.29821530.25112637X-RAY DIFFRACTION96
3.4459-3.51620.28541450.24722608X-RAY DIFFRACTION96
3.5162-3.59260.29661350.23562673X-RAY DIFFRACTION98
3.5926-3.67620.32691400.24472650X-RAY DIFFRACTION97
3.6762-3.76810.32031350.21912670X-RAY DIFFRACTION98
3.7681-3.86990.2411400.21422675X-RAY DIFFRACTION98
3.8699-3.98370.27571550.22812664X-RAY DIFFRACTION98
3.9837-4.11230.24951410.19342720X-RAY DIFFRACTION99
4.1123-4.25920.20021290.17332745X-RAY DIFFRACTION100
4.2592-4.42960.23631460.17292745X-RAY DIFFRACTION100
4.4296-4.6310.19871420.16942719X-RAY DIFFRACTION100
4.631-4.8750.2121350.16842771X-RAY DIFFRACTION100
4.875-5.18010.24331610.18252735X-RAY DIFFRACTION100
5.1801-5.57950.2391200.22805X-RAY DIFFRACTION100
5.5795-6.14010.27971580.20272767X-RAY DIFFRACTION100
6.1401-7.02630.22971360.19872799X-RAY DIFFRACTION100
7.0263-8.84380.18421460.16782838X-RAY DIFFRACTION100
8.8438-48.88680.19051640.1592920X-RAY DIFFRACTION99
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)
12.01130.2262-0.84594.09341.53562.31990.0685-0.19070.22210.1415-0.3711.18830.3379-0.45850.2970.24530.024-0.01110.3791-0.0270.41552.8538-14.9206-18.4448
21.9964-2.4738-2.61020.9624-1.01768.0786-0.1777-1.32411.50191.83481.1513-0.6965-1.1194-0.3726-0.61870.81370.24330.17820.40760.06740.733813.9726-23.0327-5.2696
34.8973-1.74332.3694.62232.15687.4576-0.2885-0.7787-1.08560.4366-0.65850.7011.3823-0.564-0.66420.218-0.0266-0.09850.58230.16670.12489.4755-23.341-14.7626
41.8046-1.3131-0.1862.6689-0.04752.48130.0250.18750.2847-0.1267-0.1145-0.1341-0.14710.1140.15670.15290.029-0.04840.3227-0.00310.248417.5041-11.4096-25.8369
53.6740.8324-0.41442.8106-0.26130.14050.4187-1.16610.31811.3653-0.43240.32120.2909-0.3591-0.11740.5645-0.11730.08630.5327-0.05550.328636.60178.17529.2029
62.91180.5568-2.39555.6771-3.82794.01190.5658-0.5297-1.0112-0.6082-0.59111.37531.559-2.0137-0.18090.7804-0.1535-0.25840.88730.04110.833224.350115.68416.6826
74.2708-2.6949-0.1222.03960.18012.4696-0.1243-1.14060.11070.65890.43560.4865-0.068-0.7791-0.19410.4127-0.00580.1450.6648-0.0480.821730.929220.967528.4661
82.226-1.21710.90614.8925-0.441.81120.1620.16240.1578-0.0369-0.140.12270.18990.0452-0.08520.1724-0.0226-0.00180.3243-0.02280.240243.375510.23217.4226
97.7162-4.50242.4689.0867-2.00346.3696-0.0885-0.15690.1867-0.35830.0008-0.90440.47240.75160.03370.26730.09410.03440.49640.00290.302358.87826.099112.3657
101.86511.0930.7115.3391-1.55121.4461-0.26340.3301-0.26810.19860.2115-1.71890.09210.33050.10320.36080.07160.12850.44950.06940.662173.9617-55.9119-33.2853
112.1432-2.86891.47463.838-1.87671.601-0.2311-0.4631-0.0908-0.1558-0.5289-0.28410.30360.29040.41270.38770.75730.29480.58370.28211.221564.7916-55.3883-16.65
121.77970.6143-2.68291.0906-1.79315.50970.2954-0.66420.32080.0576-0.4732-0.2408-0.38360.76660.10880.49020.0530.03070.45370.09730.414667.9196-50.4866-25.0372
132.68480.1289-0.6981.11190.6712.584-0.23870.0464-0.034-0.24350.0332-0.37620.1862-0.22720.08450.42260.00510.11920.25350.0940.392360.0372-55.9392-37.176
144.7586-2.9711-4.82144.42594.05715.3325-0.54430.8693-0.3451-0.3418-0.1633-0.57820.8953-0.6710.70650.5299-0.08110.11510.40780.02070.49951.4018-57.3767-50.1832
153.1719-0.0861-0.35126.37780.77422.14730.10940.72750.2599-0.9861-0.0657-0.0678-0.26010.460.09710.2832-0.0078-0.01880.3830.02780.2257-11.706115.672-1.0945
163.3961-2.47991.60328.7821-2.79433.58380.21490.27320.4177-1.4007-0.0614-0.28890.33060.7418-0.2820.33160.01890.07550.434-0.01990.2571-3.337315.9621-3.7251
173.07522.7535-1.73415.27891.11795.3434-0.11680.9550.4926-0.5414-0.0523-1.38061.15631.1574-0.39950.41940.09490.07940.6634-0.05390.4274-0.189420.52969.389
181.79090.25540.19781.98851.28042.3761-0.02780.00880.0619-0.07590.0732-0.04130.0801-0.0598-0.08910.1545-0.00290.00720.2380.04220.2178-16.557713.12168.4241
191.9143-1.22032.2841.2478-0.14297.13510.2237-0.2185-0.31560.0098-0.36730.73861.4301-0.58830.14690.1819-0.14510.02490.35130.01440.3248-32.94738.05359.2779
203.0281-2.1256-0.27233.89550.66351.67420.13870.4878-0.0828-0.3911-0.23750.22820.0543-0.14940.08790.26960.0037-0.04970.35250.01190.2589-26.03985.971-11.8048
211.49860.47390.34841.1325-0.02523.74510.0360.18630.359-0.0682-0.07770.187-0.3217-0.40680.10670.22920.06560.00860.3598-0.02760.4512-31.271431.20272.0219
224.162-0.54680.87882.36510.34042.14740.0432-0.3830.48320.38940.01010.0255-0.1417-0.0586-0.09410.2785-0.07440.03290.2991-0.06760.3228-16.630132.18422.9657
232.88740.99980.08435.76260.78354.1985-0.01160.04070.5495-0.0673-0.0966-0.0937-0.22110.28740.06440.2975-0.1076-0.05380.4684-0.10740.74635.734934.715921.3868
243.3814-1.33360.54052.82651.26923.33540.19150.00310.1587-0.3397-0.15430.4188-0.6035-0.4851-0.04380.36570.0827-0.02880.33280.08580.36310.70076.9769-28.5023
250.8897-1.3610.25524.0158-1.09761.63210.14470.3512-0.1851-0.5236-0.16180.07790.28790.0762-0.00070.32010.0192-0.01510.3893-0.0860.228516.2357-24.7416-36.8434
262.62760.566-0.27651.9953-0.76634.5763-0.0397-0.0554-0.26140.2330.08570.07320.1541-0.0446-0.05450.32270.0541-0.01780.31450.05530.416518.7069-41.7417-10.095
273.53321.406-1.03463.73730.20844.30880.129-0.4103-0.60740.3412-0.1615-0.19950.8093-0.18360.10750.51750.0324-0.03240.45950.0170.331150.0767-11.635830.1254
281.448-0.92691.19014.1872-1.10851.8195-0.0448-0.20010.2170.4744-0.0562-0.1872-0.17870.28530.12950.1757-0.07760.02340.4780.00720.320559.76518.589128.9862
292.9454-1.28050.74847.57492.48986.71440.16070.02550.459-0.270.3595-0.399-0.08480.2469-0.34860.24250.02520.04870.3936-0.03110.344149.876429.715213.1959
300.9785-1.5909-0.17482.96590.32662.57230.09690.35340.1788-0.2117-0.1636-0.0231-0.3317-0.04110.02780.2456-0.031-0.01380.36370.05570.469937.059635.145811.9146
315.3481.9256-1.11352.8266-0.86554.34530.14580.5886-0.1651-0.1172-0.0417-0.2072-0.1944-0.65420.01190.36640.0714-0.02480.42640.02890.519920.843335.597218.4158
321.0307-0.2883-0.47121.67910.3662.0888-0.01520.17290.0636-0.3399-0.0663-0.2571-0.03720.16550.06110.32150.01270.11850.40230.12550.412761.8047-45.8587-41.986
336.9375-1.95861.48113.6188-0.5575.39170.2361-0.47320.2272-0.2204-0.31790.07460.7199-0.0474-0.0460.4612-0.07450.06150.4527-0.03130.399962.9266-37.4446-7.37
340.2202-0.3440.28640.6752-0.47670.5140.41070.1439-0.3452-0.5247-0.18150.36410.0772-0.7647-0.37960.71410.0553-0.26320.47320.04080.438728.7665-64.1921-19.1533
352.3532-2.1627-2.39328.17493.5264.4346-0.3191-0.1628-0.5225-0.2226-0.00260.82930.50250.67460.23070.40820.0421-0.04230.55060.18730.348731.4759-71.6615-10.5461
364.666-0.85731.3570.61540.75852.42150.2742-0.1088-0.1948-0.0813-0.39720.29060.3783-0.1298-0.03990.4636-0.0193-0.00320.224-0.01910.627938.3815-65.2959-20.1886
376.1630.51022.22673.34850.27173.87770.1303-0.52040.89280.4289-0.51980.2187-1.1644-0.15370.33380.5210.05610.12710.23080.12750.315539.7465-60.9677-9.2746
380.43161.5626-0.00266.0923-1.7726.5712-0.2029-0.3241-0.37910.0158-0.3069-1.51080.9421.04420.55950.32690.06620.01580.44410.14990.469155.6938-70.4949-14.6333
390.53670.15930.5031.46042.33894.6495-0.1334-0.1563-0.25-0.25980.53450.1755-0.08270.77510.10180.39970.0130.12220.33120.09250.532455.8715-65.2027-24.4207
403.48792.3313-1.14161.5496-0.74710.9133-0.0933-0.2484-0.24250.1851-0.0324-0.6210.27510.46360.19960.42260.0570.04310.28160.00190.455245.5349-68.645-8.2613
415.99411.6752-1.33033.23042.46573.59810.7034-0.97030.73680.4586-0.2785-0.1197-0.76310.14410.06120.6824-0.12310.0610.7233-0.10070.302141.8498-57.41821.3847
424.507-1.1915-1.48222.0561-0.85881.8348-0.1196-0.916-0.25471.09660.35030.48230.230.3282-0.02280.7974-0.02750.00780.38960.0130.444-8.7146-3.42939.6719
432.73833.0942-0.07324.1656-1.17145.52850.2748-0.40870.20921.97850.2433-0.1749-0.6013-0.9052-0.42730.75910.0373-0.15090.3322-0.00250.5871-6.79244.483137.6457
441.5647-0.85681.74671.9876-1.32484.780.0791-0.04060.15080.40120.1331-0.3593-0.17990.6697-0.16720.3707-0.08-0.13610.4380.01430.4830.94094.207927.3346
455.9229-3.38190.10818.1959-2.95727.3944-0.0082-0.4006-0.5324-0.86190.99461.21090.7954-0.9073-0.86380.4163-0.0311-0.15960.5810.15370.770438.36094.4357-11.5074
468.8553-2.02930.29315.92531.30381.3791-0.33390.63250.047-1.04460.57371.25990.0892-0.4971-0.75760.6701-0.0627-0.02230.70010.23640.571237.99717.673-20.7243
475.4255-1.00021.60144.4917-0.56757.50640.77741.2886-0.4639-1.0860.0408-0.25730.7010.3108-0.70420.5280.0065-0.16020.3576-0.0970.587226.61888.5995-15.1902
484.9435-0.75241.49031.96680.03527.76480.08380.62680.7825-0.4255-0.153-0.3184-0.34740.52220.09580.3443-0.0177-0.00690.31210.05370.536229.745716.2533-10.3441
493.2386-1.10331.82511.79650.05864.3469-0.87290.1937-0.5569-0.2726-0.0191-0.14770.2597-0.18230.38730.08630.0851-0.06540.4243-0.1460.353720.42719.3926-2.6351
502.1023.45510.44526.8395-1.42044.10880.2276-0.5952-0.94380.3038-0.4325-0.23491.2955-1.39550.43660.5867-0.25090.05850.57680.03940.370922.50790.70359.3062
511.74690.15011.78480.2884-0.34644.7757-0.3808-0.3220.4551-0.07760.1789-0.1713-0.4511-0.60220.23110.3703-0.0079-0.0960.3286-0.06590.51623.621812.7819-1.6871
520.0621-0.15880.17040.6672-0.60530.57460.37430.02640.3047-0.3817-0.4686-0.4032-0.29220.3795-0.08790.63730.23190.01710.4092-0.0540.82849.7479-13.4106-7.624
530.4638-0.27440.06333.8364-2.90442.30660.03610.20830.3858-0.3416-0.5075-0.69190.16240.40910.07090.37010.0745-0.11910.4777-0.13730.383548.4574-11.82974.169
545.43380.4538-0.18710.487-0.15692.5180.0940.1838-0.49090.1713-0.2353-0.5847-0.05760.33590.10750.52090.0201-0.07990.3096-0.06440.34141.1532-14.6799-5.92
554.9197-1.38131.5841.3613-0.64253.56860.1393-1.09660.05270.11240.1668-0.0567-0.02170.0017-0.26310.3505-0.0577-0.10890.292-0.00130.250830.1946-15.94833.8884
562.0477-0.06541.0993.56790.37890.44420.2268-0.42140.0272-0.2630.04330.63930.2632-0.4328-0.20860.4341-0.02410.03480.40590.01730.316424.5517-11.5674-5.2585
577.4492-2.7217-1.05488.49311.73295.418-0.7166-0.9182-0.80561.32550.69390.6311.0593-0.823-0.18090.87770.0121-0.09560.4610.08560.396839.4114-25.433210.1677
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'D' and (resid 1 through 41 )
2X-RAY DIFFRACTION2chain 'D' and (resid 42 through 48 )
3X-RAY DIFFRACTION3chain 'D' and (resid 49 through 62 )
4X-RAY DIFFRACTION4chain 'D' and (resid 63 through 142 )
5X-RAY DIFFRACTION5chain 'L' and (resid 1 through 41 )
6X-RAY DIFFRACTION6chain 'L' and (resid 42 through 48 )
7X-RAY DIFFRACTION7chain 'L' and (resid 49 through 55 )
8X-RAY DIFFRACTION8chain 'L' and (resid 56 through 127 )
9X-RAY DIFFRACTION9chain 'L' and (resid 128 through 142 )
10X-RAY DIFFRACTION10chain 'F' and (resid 1 through 41 )
11X-RAY DIFFRACTION11chain 'F' and (resid 42 through 48 )
12X-RAY DIFFRACTION12chain 'F' and (resid 49 through 62 )
13X-RAY DIFFRACTION13chain 'F' and (resid 63 through 127 )
14X-RAY DIFFRACTION14chain 'F' and (resid 128 through 142 )
15X-RAY DIFFRACTION15chain 'I' and (resid 1 through 24 )
16X-RAY DIFFRACTION16chain 'I' and (resid 25 through 41 )
17X-RAY DIFFRACTION17chain 'I' and (resid 42 through 54 )
18X-RAY DIFFRACTION18chain 'I' and (resid 55 through 127 )
19X-RAY DIFFRACTION19chain 'I' and (resid 128 through 142 )
20X-RAY DIFFRACTION20chain 'G' and (resid 9 through 140 )
21X-RAY DIFFRACTION21chain 'G' and (resid 141 through 219 )
22X-RAY DIFFRACTION22chain 'G' and (resid 220 through 358 )
23X-RAY DIFFRACTION23chain 'G' and (resid 359 through 396 )
24X-RAY DIFFRACTION24chain 'B' and (resid 9 through 87 )
25X-RAY DIFFRACTION25chain 'B' and (resid 88 through 320 )
26X-RAY DIFFRACTION26chain 'B' and (resid 321 through 396 )
27X-RAY DIFFRACTION27chain 'J' and (resid 9 through 87 )
28X-RAY DIFFRACTION28chain 'J' and (resid 88 through 238 )
29X-RAY DIFFRACTION29chain 'J' and (resid 239 through 273 )
30X-RAY DIFFRACTION30chain 'J' and (resid 274 through 358 )
31X-RAY DIFFRACTION31chain 'J' and (resid 359 through 396 )
32X-RAY DIFFRACTION32chain 'A' and (resid 9 through 358 )
33X-RAY DIFFRACTION33chain 'A' and (resid 359 through 396 )
34X-RAY DIFFRACTION34chain 'E' and (resid 55 through 80 )
35X-RAY DIFFRACTION35chain 'E' and (resid 81 through 94 )
36X-RAY DIFFRACTION36chain 'E' and (resid 95 through 118 )
37X-RAY DIFFRACTION37chain 'E' and (resid 119 through 142 )
38X-RAY DIFFRACTION38chain 'E' and (resid 143 through 157 )
39X-RAY DIFFRACTION39chain 'E' and (resid 158 through 177 )
40X-RAY DIFFRACTION40chain 'E' and (resid 178 through 191 )
41X-RAY DIFFRACTION41chain 'E' and (resid 192 through 203 )
42X-RAY DIFFRACTION42chain 'H' and (resid 56 through 103 )
43X-RAY DIFFRACTION43chain 'H' and (resid 104 through 142 )
44X-RAY DIFFRACTION44chain 'H' and (resid 143 through 203 )
45X-RAY DIFFRACTION45chain 'K' and (resid 55 through 64 )
46X-RAY DIFFRACTION46chain 'K' and (resid 65 through 80 )
47X-RAY DIFFRACTION47chain 'K' and (resid 81 through 103 )
48X-RAY DIFFRACTION48chain 'K' and (resid 104 through 142 )
49X-RAY DIFFRACTION49chain 'K' and (resid 143 through 149 )
50X-RAY DIFFRACTION50chain 'K' and (resid 150 through 156 )
51X-RAY DIFFRACTION51chain 'K' and (resid 157 through 203 )
52X-RAY DIFFRACTION52chain 'C' and (resid 55 through 80 )
53X-RAY DIFFRACTION53chain 'C' and (resid 81 through 93 )
54X-RAY DIFFRACTION54chain 'C' and (resid 94 through 128 )
55X-RAY DIFFRACTION55chain 'C' and (resid 129 through 156 )
56X-RAY DIFFRACTION56chain 'C' and (resid 157 through 185 )
57X-RAY DIFFRACTION57chain 'C' and (resid 186 through 203 )

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