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- PDB-6pxl: 3.74 Angstroms resolution structure of HlsU with an axial-channel plug -

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Basic information

Entry
Database: PDB / ID: 6pxl
Title3.74 Angstroms resolution structure of HlsU with an axial-channel plug
ComponentsATP-dependent protease ATPase subunit HslU
KeywordsHYDROLASE / AAA+ ATPase / peptidase
Function / homology
Function and homology information


protein denaturation / HslUV protease complex / proteasome-activating activity / protein unfolding / proteolysis involved in protein catabolic process / peptidase activity / cellular response to heat / response to heat / protein domain specific binding / magnesium ion binding ...protein denaturation / HslUV protease complex / proteasome-activating activity / protein unfolding / proteolysis involved in protein catabolic process / peptidase activity / cellular response to heat / response to heat / protein domain specific binding / magnesium ion binding / ATP hydrolysis activity / proteolysis / ATP binding / identical protein binding / membrane / cytosol
Similarity search - Function
Heat shock protein HslU / : / Helicase, Ruva Protein; domain 3 - #60 / Clp ATPase, C-terminal / C-terminal, D2-small domain, of ClpB protein / C-terminal, D2-small domain, of ClpB protein / AAA domain (Cdc48 subfamily) / Helicase, Ruva Protein; domain 3 / ATPase family associated with various cellular activities (AAA) / ATPase, AAA-type, core ...Heat shock protein HslU / : / Helicase, Ruva Protein; domain 3 - #60 / Clp ATPase, C-terminal / C-terminal, D2-small domain, of ClpB protein / C-terminal, D2-small domain, of ClpB protein / AAA domain (Cdc48 subfamily) / Helicase, Ruva Protein; domain 3 / ATPase family associated with various cellular activities (AAA) / ATPase, AAA-type, core / ATPases associated with a variety of cellular activities / AAA+ ATPase domain / P-loop containing nucleoside triphosphate hydrolase / Orthogonal Bundle / Mainly Alpha
Similarity search - Domain/homology
ADENOSINE-5'-DIPHOSPHATE / ATP-dependent protease ATPase subunit HslU / ATP-dependent protease ATPase subunit HslU
Similarity search - Component
Biological speciesEscherichia coli (E. coli)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.741 Å
AuthorsBaytshtok, V. / Grant, R.A. / Sauer, R.T.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Human Genome Research Institute (NIH/NHGRI) United States
CitationJournal: Cell Rep / Year: 2021
Title: Heat activates the AAA+ HslUV protease by melting an axial autoinhibitory plug.
Authors: Baytshtok, V. / Fei, X. / Shih, T.T. / Grant, R.A. / Santos, J.C. / Baker, T.A. / Sauer, R.T.
History
DepositionJul 26, 2019Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 29, 2020Provider: repository / Type: Initial release
Revision 1.1Feb 10, 2021Group: Database references / Category: citation / citation_author
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
Revision 1.2Oct 11, 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
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.3Nov 15, 2023Group: Data collection / Category: chem_comp_atom / chem_comp_bond / Item: _chem_comp_atom.atom_id / _chem_comp_bond.atom_id_2
Revision 1.4Oct 23, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: ATP-dependent protease ATPase subunit HslU
B: ATP-dependent protease ATPase subunit HslU
C: ATP-dependent protease ATPase subunit HslU
D: ATP-dependent protease ATPase subunit HslU
E: ATP-dependent protease ATPase subunit HslU
F: ATP-dependent protease ATPase subunit HslU
G: ATP-dependent protease ATPase subunit HslU
H: ATP-dependent protease ATPase subunit HslU
I: ATP-dependent protease ATPase subunit HslU
J: ATP-dependent protease ATPase subunit HslU
K: ATP-dependent protease ATPase subunit HslU
L: ATP-dependent protease ATPase subunit HslU
hetero molecules


Theoretical massNumber of molelcules
Total (without water)616,99629
Polymers611,60412
Non-polymers5,39117
Water00
1
A: ATP-dependent protease ATPase subunit HslU
B: ATP-dependent protease ATPase subunit HslU
C: ATP-dependent protease ATPase subunit HslU
D: ATP-dependent protease ATPase subunit HslU
E: ATP-dependent protease ATPase subunit HslU
F: ATP-dependent protease ATPase subunit HslU
hetero molecules


Theoretical massNumber of molelcules
Total (without water)308,48614
Polymers305,8026
Non-polymers2,6848
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area34250 Å2
ΔGint-136 kcal/mol
Surface area100150 Å2
MethodPISA
2
G: ATP-dependent protease ATPase subunit HslU
H: ATP-dependent protease ATPase subunit HslU
I: ATP-dependent protease ATPase subunit HslU
J: ATP-dependent protease ATPase subunit HslU
K: ATP-dependent protease ATPase subunit HslU
L: ATP-dependent protease ATPase subunit HslU
hetero molecules


Theoretical massNumber of molelcules
Total (without water)308,51015
Polymers305,8026
Non-polymers2,7089
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area35330 Å2
ΔGint-140 kcal/mol
Surface area100380 Å2
MethodPISA
Unit cell
Length a, b, c (Å)414.594, 92.331, 200.849
Angle α, β, γ (deg.)90.000, 114.370, 90.000
Int Tables number5
Space group name H-MC121

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Components

#1: Protein
ATP-dependent protease ATPase subunit HslU / Heat shock protein HslU / Unfoldase HslU


Mass: 50967.012 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli) / Gene: hslU / Production host: Escherichia coli (E. coli) / References: UniProt: C3SIX7, UniProt: P0A6H5*PLUS
#2: Chemical
ChemComp-ADP / ADENOSINE-5'-DIPHOSPHATE


Mass: 427.201 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C10H15N5O10P2 / Comment: ADP, energy-carrying molecule*YM
#3: Chemical ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: SO4
#4: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Mg
Has ligand of interestN
Has protein modificationY

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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: 2.86 Å3/Da / Density % sol: 57.03 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop
Details: 0.2 M ammonium sulfate, 18% PEG-3350, 0.1 M TRIS pH 7.5

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.9792 Å
DetectorType: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Aug 6, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9792 Å / Relative weight: 1
ReflectionResolution: 3.74→100 Å / Num. obs: 68296 / % possible obs: 94.62 % / Redundancy: 3.8 % / Rmerge(I) obs: 0.121 / Rpim(I) all: 0.068 / Rrim(I) all: 0.14 / Net I/σ(I): 10.3
Reflection shellResolution: 3.74→3.81 Å / Rmerge(I) obs: 0.562 / Mean I/σ(I) obs: 1.17 / Num. unique obs: 68296 / CC1/2: 0.691 / Rpim(I) all: 0.397 / Rrim(I) all: 0.694

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Processing

Software
NameVersionClassification
PHENIX1.14_3211refinement
PDB_EXTRACT3.24data extraction
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 1DO0

1do0


Resolution: 3.741→49.56 Å / SU ML: 0.52 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 29.03
RfactorNum. reflection% reflection
Rfree0.2651 3465 5.07 %
Rwork0.2202 --
obs0.2225 68296 94.62 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 388.31 Å2 / Biso mean: 159.6123 Å2 / Biso min: 68.93 Å2
Refinement stepCycle: final / Resolution: 3.741→49.56 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms36674 0 337 0 37011
Biso mean--120.92 --
Num. residues----4667
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
3.741-3.79180.4057960.3347167261
3.7918-3.84590.35741430.3261214779
3.8459-3.90330.38191260.3167230286
3.9033-3.96430.37971350.2998249992
3.9643-4.02920.30891350.2848256893
4.0292-4.09870.31220.2876258495
4.0987-4.17320.31881310.2743263196
4.1732-4.25340.29691330.2703260196
4.2534-4.34020.29661280.2587262596
4.3402-4.43450.27451540.2436263296
4.4345-4.53760.28411370.2363259396
4.5376-4.65090.29771320.229261496
4.6509-4.77660.26081380.229260795
4.7766-4.9170.251420.2226268097
4.917-5.07560.28791280.2343265998
5.0756-5.25680.28581530.2379269799
5.2568-5.4670.29481490.2389272099
5.467-5.71550.28041490.2378270099
5.7155-6.01630.27571530.2456269899
6.0163-6.39260.27851740.2441269398
6.3926-6.88490.28191600.21792741100
6.8849-7.57560.23071380.2068276799
7.5756-8.66670.18631240.1646276199
8.6667-10.90.18471600.1584275299
10.9-49.560.27661250.1899288899
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)
10.1659-0.0533-0.19990.10720.2843-0.06050.18440.1212-0.0882-0.1601-0.1954-0.06970.2039-0.0907-01.25960.0516-0.02850.9743-0.06791.062-94.8047-10.070281.486
20.7587-0.68940.43430.28230.0704-0.53940.3848-0.0833-0.11940.0497-0.61790.33250.032-0.22301.1863-0.4043-0.16841.15370.02091.146-114.562-26.861890.202
31.66760.2272-1.444-0.437-0.01890.32040.01180.035-0.2699-0.20730.0785-0.1497-0.2541-0.1393-00.96080.0756-0.140.74830.03170.9889-106.2547-0.589790.2232
40.1298-0.062-0.03860.0238-0.0283-0.03020.13390.44470.23120.53450.16560.4689-0.7912-0.858501.01850.20550.07641.5040.20991.2107-129.92712.194983.9587
5-0.34120.91120.03970.12080.87360.93940.3233-0.2149-0.2290.37070.1367-0.0870.3716-0.2289-00.95580.0843-0.2951.1190.30571.3925-132.7358-14.4048104.5106
6-0.04270.0619-0.01950.0250.06580.23110.39720.4105-0.031-0.39890.3239-0.2510.46660.603502.28250.40610.12643.13950.58352.9709-124.3172-30.7693126.5324
70.0185-0.0978-0.0022-0.02070.01740.029-0.0596-0.29690.3373-0.37680.27110.49680.21230.6295-02.8986-0.4274-0.80422.23670.22732.243-126.9541-34.7746122.1438
80.38750.0836-0.6158-0.02260.12811.2232-0.0377-0.1038-0.0866-0.07870.1664-0.2183-0.0832-0.389700.82250.03020.02071.2350.1711.1656-128.77411.2841108.3055
90.11110.03140.21890.0342-0.15650.05650.2640.1289-0.42240.5757-0.1738-0.4859-0.747-0.789-01.24130.22650.13751.56310.33811.4445-144.565711.1591128.6337
100.22820.0708-0.21530.02120.26590.25370.47180.3929-0.13450.2216-0.3739-0.2068-0.2009-0.263701.1082-0.00350.17211.6641-0.04111.4198-135.0641-3.987136.199
11-0.21480.0682-0.49860.1044-0.1321-0.1572-0.2504-0.05780.04380.33720.0941-0.4015-0.3162-0.718102.1595-0.14920.13661.64960.14471.2937-125.4497-40.1457147.0463
120.62620.38240.11770.4652-0.1830.94280.58790.16590.1223-0.234-0.16060.3066-0.0042-0.1494-01.39390.270.03161.40150.17061.0708-126.5052-2.4447137.3056
130.44780.52740.39540.01510.13320.14150.366-0.50230.2234-0.12-0.14740.2463-0.43870.375-01.4732-0.1080.281.5183-0.05251.0824-118.80096.1408164.4545
140.0895-0.1114-0.28980.04540.03320.40730.0156-0.5844-0.0118-0.2571-0.1116-0.01370.55570.18801.3273-0.07150.02172.07440.21850.9199-110.4993-11.2374162.3267
150.7676-0.09250.22830.09560.2765-0.4393-0.55960.0804-0.3211-0.1250.5039-1.27150.1012-0.144101.71930.05580.1431.3453-0.06111.4085-100.9716-32.679147.9317
16-0.0854-0.1432-0.00860.00760.0809-0.05120.24310.39690.45370.13281.17350.05220.71780.0253-02.53680.3695-0.41732.9492-0.12812.223-97.1167-33.0773128.9323
171.82090.187-0.0749-0.3186-0.0956-0.15090.3321-0.6022-0.0470.0845-0.31030.3679-0.06060.3627-01.3068-0.1153-0.01351.62360.36290.9995-91.8252-10.8362153.8439
180.0037-0.08450.06240.15820.0710.0847-0.2356-0.6661-0.3543-0.5819-0.2399-0.36030.2961-0.1557-00.85390.4308-0.16472.29380.81751.8749-67.7903-20.9697146.3547
19-0.0652-0.030.01610.02830.0180.034-0.1027-0.5438-0.05770.29610.4024-0.06160.19520.257401.2501-0.0247-0.06951.970.34011.3248-79.3062-17.3857149.1171
200.04760.03940.01670.0310.1090.1120.0540.2243-0.2017-0.6898-0.6724-0.17050.174-0.015801.363-0.4078-0.2241.40070.43291.8979-78.2823-14.5289132.9605
21-0.1939-0.1521-0.0072-0.06330.1238-0.30170.12040.1769-0.804-0.257-0.05040.03920.1949-0.00750-4.7042-4.6545-3.55080.1349-0.28130.1523-83.0723-27.1109130.1985
220.25950.01860.68150.21710.46880.62980.2922-0.4869-0.1047-0.14490.0026-0.180.1735-0.222-01.4418-0.1313-0.04341.48750.17211.2983-76.4278-17.6961134.3868
230.17510.03450.37580.1549-0.1210.2570.3056-0.344-0.0534-0.338-0.12250.1905-0.35750.7148-01.218-0.1287-0.03431.3693-0.09061.3854-53.5592-5.8879118.5661
240.2268-0.00590.15880.3485-0.15420.32730.3098-0.0706-0.266-0.1244-0.1243-0.0973-0.03390.111100.87910.0408-0.0930.93960.05341.4728-68.6169-16.4719107.3896
250.01090.2386-0.03470.10970.0567-0.1133-0.25280.46220.1943-0.2114-0.0388-0.19250.07640.2267-01.326-0.05340.10561.0749-0.23761.0787-89.3304-39.403893.797
26-0.026-0.0787-0.1071-0.0034-0.0135-0.05720.4339-1.4575-0.457-0.1886-0.46150.00560.59660.487402.21350.1689-0.36962.18670.22421.7843-101.8248-34.388999.4451
271.8392-0.3381-0.28980.24340.19460.79590.1074-0.00550.0225-0.0264-0.0197-0.2948-0.2279-0.01301.025-0.0147-0.02640.6844-0.07430.8616-77.2485-6.628697.1659
280.1151-0.114-0.23120.2579-0.36660.15020.10740.40850.32530.36290.20340.2183-0.2343-0.527901.4130.77540.00491.67890.46351.2859-114.585348.572621.4627
290.04340.051-0.16830.0071-0.07240.01580.00330.80370.2244-0.0270.2972-0.3952-0.1949-0.236201.27820.28290.03621.42070.3531.3701-100.424241.75516.3234
30-0.0980.0075-0.10760.009-0.0101-0.03780.0980.53660.53-0.07270.0916-0.3656-0.51060.026601.60880.0242-0.27781.09220.55681.6042-92.777652.939120.319
31-0.0981-0.2362-0.33370.16610.1226-0.27130.0830.19530.72250.01050.11370.50360.9133-0.0903-02.1180.21850.25022.26630.37132.6784-74.013266.225713.7351
320.1344-0.13250.15280.1288-0.11390.01160.40060.25340.52720.65780.0629-0.73360.28120.465801.46170.20810.19771.6525-0.30332.1218-83.059363.52517.5854
330.14620.12840.06150.01290.0140.08930.45920.5043-0.4578-0.1690.1587-0.02920.09130.371601.35740.295-0.04911.28970.1641.3532-101.229329.960824.3764
340.41790.0383-0.31960.4194-0.20960.457-0.05390.2155-0.00610.1355-0.1472-0.0719-0.1131-0.2996-01.11160.189-0.07721.51220.29291.0908-107.179741.561410.9992
350.2071-0.1670.24650.1360.1070.09180.12620.70190.17540.1061-0.18450.13210.6889-0.3826-01.424-0.3775-0.23312.31950.30081.3314-105.986236.547-12.6761
360.0504-0.09420.13010.01930.06180.0524-0.52940.58260.161-0.50490.3544-0.3936-0.2025-0.948301.2180.16-0.22291.48350.37051.3414-86.066544.822-15.387
37-0.02190.0467-0.14280.0541-0.0195-0.1262-0.3601-0.0264-0.5860.06550.3393-0.758-0.8516-0.362201.56380.3461-0.18961.67170.03610.5897-92.728744.429-4.791
380.2844-0.2601-0.02750.17380.23670.09510.13710.50610.32120.4193-0.22060.54920.25330.1926-01.4466-0.0149-0.0321.5376-0.17661.2668-76.428940.7031.0744
390.03480.08930.22660.0436-0.0680.02670.1560.2122-0.4281-0.3560.08810.0108-0.4566-0.5664-01.42-0.1639-0.01381.73610.12721.3587-51.298672.4702-5.3671
40-0.04920.0647-0.15640.2674-0.07690.20610.3213-0.3552-0.0194-0.1032-0.2751-0.30130.0233-0.176701.08250.1350.0631.3351-0.11111.4236-62.984554.09433.4342
410.6436-0.50670.32610.21080.07810.1023-0.50120.11590.19460.22070.37590.31160.24260.5688-01.19310.00660.01431.9057-0.0431.11-87.774433.2834-2.0874
420.1705-0.18610.01690.11950.26360.2422-0.04290.11180.2782-0.3571-0.1562-0.32970.2812-0.300401.5959-0.05030.17341.6311-0.05391.1582-62.354423.3001-20.7705
430.0469-0.01090.03710.02890.01510.02340.4521-0.052-0.007-0.23460.102-0.3806-0.0250.207-01.8774-0.07850.26351.5207-0.09471.318-64.33911.1893-17.9473
440.18060.05880.24910.15360.18820.37570.42390.30130.115-0.4939-0.5104-0.1660.27720.383401.05330.10320.25911.40390.27951.3506-52.016127.3182-7.511
450.0356-0.11440.2663-0.0295-0.06530.10680.0603-0.33280.3499-0.2711-0.20920.04520.5280.356301.0630.00280.05281.1143-0.08721.3894-55.482331.07249.3258
46-0.1154-0.2092-0.23820.2163-0.2303-0.1139-0.3921-0.4677-0.89140.09710.2824-0.42470.23760.3674-02.02360.13890.05312.67170.01562.0935-54.810447.955626.9251
470.432-0.11050.59920.5838-0.55241.509-0.17430.0222-0.0599-0.30070.0833-0.02790.14410.1458-00.90950.03170.15640.87230.03641.1091-50.112517.01589.8322
4800.03770.02050.02060.01030.0637-0.2956-0.50280.2420.1405-0.0899-0.41250.15530.475500.929-0.0664-0.26661.36490.07381.3266-37.354513.101939.5838
490.00920.04640.02470.0101-0.00190.03830.5647-0.66890.16850.09550.5581-0.03990.1430.1291-01.10790.1405-0.09671.21860.01491.3542-37.679615.729829.4326
500.2938-0.3013-0.02120.2935-0.07350.05630.369-0.18740.6144-0.1681-0.297-0.47640.1738-0.427501.33130.31890.23031.10690.32291.2235-50.589417.232930.1069
51-0.07420.06460.0583-0.02270.0271-0.01430.3924-0.42271.0351-0.2849-0.3198-1.9625-0.34520.2159-02.12810.40410.3315-0.41760.0672.2198-53.049330.953737.5866
52-0.04160.04050.07950.0065-0.08350.0143-0.417-0.33320.5831-0.2399-0.1152-0.510.26530.2027-02.7173-0.29250.68491.2143-0.03812.2548-45.834241.92240.0012
530.146-0.1778-0.10630.14640.0670.14320.2252-0.00990.1404-0.1639-0.11420.28-0.88-0.6893-01.24140.26420.14311.2310.26391.05-60.877813.832623.4098
540.0056-0.16750.0710.02310.0240.18260.27660.4855-0.2457-0.31340.0489-0.4071-0.5611-0.6273-01.45990.29620.22220.86020.3671.1733-54.5120.964425.9155
550.0365-0.025-0.03270.01570.05120.04530.3834-0.63040.1232-0.2340.11960.0895-0.29930.113101.64460.27040.25971.2455-0.22441.3984-51.83126.062824.4289
560.1106-0.1804-0.07990.483-0.09090.32970.0079-0.3774-0.3790.01740.037-0.00540.26150.187901.25150.1511-0.03881.10760.13811.3079-55.8112.469958.941
570.19080.07150.1850.46920.41430.2839-0.1329-0.562-0.0333-0.19220.01070.1319-0.32560.517-01.13550.06970.00540.9540.06580.9517-64.27318.814163.1778
58-1.2561-0.4901-0.3085-0.03670.7853-0.91060.5799-2.7118-0.2894-0.6951-0.10530.2529-0.57340.9609-00.56460.91120.0556-2.12210.0260.3071-73.39346.034358.3368
590.08280.2570.04890.03450.09780.0455-0.39370.14860.5083-0.3436-0.24480.49010.50810.017802.43910.2115-0.19162.17760.0552.0649-77.380953.410842.326
60-0.2086-0.1888-0.0191-0.03870.0792-0.03780.2255-0.24090.17880.2243-0.4176-0.5267-0.3403-0.6126-02.04370.05550.08661.7227-0.21121.5102-71.098450.167754.5606
610.8682-0.5380.25310.47510.10030.25150.04990.0721-0.11590.1389-0.00250.0759-0.0331-0.042101.1880.08450.03650.75120.08111.0427-86.544118.185558.5918
620.157-0.005-0.05940.3026-0.28550.27490.0404-0.10410.2211-0.0912-0.07080.3733-0.3020.2359-01.20760.25930.02351.06840.11460.9074-100.617335.945152.8107
63-0.3977-0.5357-0.2890.0948-0.1765-0.0542.3382-4.12475.01521.08170.2268-1.5346-1.30931.095400.23841.4282-1.9169-1.50282.4574-2.9105-92.865172.231543.2431
640.3188-0.32690.78570.4746-0.2210.56230.18050.4873-0.0350.0894-0.12670.0548-0.28570.217901.17240.21190.031.2010.24911.0972-100.510433.310244.4623
650.1298-0.04720.10230.00030.24740.1439-0.76520.8892-0.21120.17430.6369-0.07850.3452-0.893900.85230.3237-0.06162.00560.27151.0956-125.857535.179829.5193
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 62 )A1 - 62
2X-RAY DIFFRACTION2chain 'A' and (resid 63 through 235 )A63 - 235
3X-RAY DIFFRACTION3chain 'A' and (resid 236 through 408 )A236 - 408
4X-RAY DIFFRACTION4chain 'A' and (resid 409 through 443 )A409 - 443
5X-RAY DIFFRACTION5chain 'B' and (resid 0 through 165 )B0 - 165
6X-RAY DIFFRACTION6chain 'B' and (resid 166 through 195 )B166 - 195
7X-RAY DIFFRACTION7chain 'B' and (resid 196 through 232 )B196 - 232
8X-RAY DIFFRACTION8chain 'B' and (resid 233 through 386 )B233 - 386
9X-RAY DIFFRACTION9chain 'B' and (resid 387 through 443 )B387 - 443
10X-RAY DIFFRACTION10chain 'C' and (resid 1 through 95 )C1 - 95
11X-RAY DIFFRACTION11chain 'C' and (resid 96 through 232 )C96 - 232
12X-RAY DIFFRACTION12chain 'C' and (resid 233 through 369 )C233 - 369
13X-RAY DIFFRACTION13chain 'C' and (resid 370 through 443 )C370 - 443
14X-RAY DIFFRACTION14chain 'D' and (resid 1 through 62 )D1 - 62
15X-RAY DIFFRACTION15chain 'D' and (resid 63 through 165 )D63 - 165
16X-RAY DIFFRACTION16chain 'D' and (resid 166 through 206 )D166 - 206
17X-RAY DIFFRACTION17chain 'D' and (resid 217 through 443 )D217 - 443
18X-RAY DIFFRACTION18chain 'E' and (resid 3 through 38 )E3 - 38
19X-RAY DIFFRACTION19chain 'E' and (resid 39 through 62 )E39 - 62
20X-RAY DIFFRACTION20chain 'E' and (resid 63 through 95 )E63 - 95
21X-RAY DIFFRACTION21chain 'E' and (resid 96 through 118 )E96 - 118
22X-RAY DIFFRACTION22chain 'E' and (resid 119 through 369 )E119 - 369
23X-RAY DIFFRACTION23chain 'E' and (resid 370 through 443 )E370 - 443
24X-RAY DIFFRACTION24chain 'F' and (resid 1 through 95 )F1 - 95
25X-RAY DIFFRACTION25chain 'F' and (resid 96 through 165 )F96 - 165
26X-RAY DIFFRACTION26chain 'F' and (resid 166 through 232 )F166 - 232
27X-RAY DIFFRACTION27chain 'F' and (resid 233 through 443 )F233 - 443
28X-RAY DIFFRACTION28chain 'G' and (resid 2 through 62 )G2 - 62
29X-RAY DIFFRACTION29chain 'G' and (resid 63 through 95 )G63 - 95
30X-RAY DIFFRACTION30chain 'G' and (resid 96 through 118 )G96 - 118
31X-RAY DIFFRACTION31chain 'G' and (resid 119 through 211 )G119 - 211
32X-RAY DIFFRACTION32chain 'G' and (resid 212 through 250 )G212 - 250
33X-RAY DIFFRACTION33chain 'G' and (resid 251 through 286 )G251 - 286
34X-RAY DIFFRACTION34chain 'G' and (resid 287 through 369 )G287 - 369
35X-RAY DIFFRACTION35chain 'G' and (resid 370 through 443 )G370 - 443
36X-RAY DIFFRACTION36chain 'H' and (resid 2 through 38 )H2 - 38
37X-RAY DIFFRACTION37chain 'H' and (resid 39 through 62 )H39 - 62
38X-RAY DIFFRACTION38chain 'H' and (resid 63 through 118 )H63 - 118
39X-RAY DIFFRACTION39chain 'H' and (resid 119 through 165 )H119 - 165
40X-RAY DIFFRACTION40chain 'H' and (resid 166 through 268 )H166 - 268
41X-RAY DIFFRACTION41chain 'H' and (resid 269 through 350 )H269 - 350
42X-RAY DIFFRACTION42chain 'H' and (resid 351 through 421 )H351 - 421
43X-RAY DIFFRACTION43chain 'H' and (resid 422 through 443 )H422 - 443
44X-RAY DIFFRACTION44chain 'I' and (resid 1 through 62 )I1 - 62
45X-RAY DIFFRACTION45chain 'I' and (resid 63 through 118 )I63 - 118
46X-RAY DIFFRACTION46chain 'I' and (resid 119 through 210 )I119 - 210
47X-RAY DIFFRACTION47chain 'I' and (resid 224 through 443 )I224 - 443
48X-RAY DIFFRACTION48chain 'J' and (resid 0 through 20 )J0 - 20
49X-RAY DIFFRACTION49chain 'J' and (resid 21 through 39 )J21 - 39
50X-RAY DIFFRACTION50chain 'J' and (resid 40 through 95 )J40 - 95
51X-RAY DIFFRACTION51chain 'J' and (resid 96 through 118 )J96 - 118
52X-RAY DIFFRACTION52chain 'J' and (resid 119 through 249 )J119 - 249
53X-RAY DIFFRACTION53chain 'J' and (resid 250 through 286 )J250 - 286
54X-RAY DIFFRACTION54chain 'J' and (resid 287 through 314 )J287 - 314
55X-RAY DIFFRACTION55chain 'J' and (resid 315 through 336 )J315 - 336
56X-RAY DIFFRACTION56chain 'J' and (resid 337 through 443 )J337 - 443
57X-RAY DIFFRACTION57chain 'K' and (resid 0 through 62 )K0 - 62
58X-RAY DIFFRACTION58chain 'K' and (resid 63 through 165 )K63 - 165
59X-RAY DIFFRACTION59chain 'K' and (resid 166 through 211 )K166 - 211
60X-RAY DIFFRACTION60chain 'K' and (resid 212 through 250 )K212 - 250
61X-RAY DIFFRACTION61chain 'K' and (resid 251 through 443 )K251 - 443
62X-RAY DIFFRACTION62chain 'L' and (resid 0 through 95 )L0 - 95
63X-RAY DIFFRACTION63chain 'L' and (resid 96 through 232 )L96 - 232
64X-RAY DIFFRACTION64chain 'L' and (resid 233 through 369 )L233 - 369
65X-RAY DIFFRACTION65chain 'L' and (resid 370 through 443 )L370 - 443

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