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- PDB-6b2o: LarE, a sulfur transferase involved in synthesis of the cofactor ... -

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Basic information

Entry
Database: PDB / ID: 6b2o
TitleLarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, C176A variant
ComponentsATP-utilizing enzyme of the PP-loopsuperfamily
KeywordsTRANSFERASE / Lar / sulfur transferase / LarE / AMPylation / hexamer / trimer / PP-loop / ATP / magnesium / ATP pyrophophatase domain / lactate / lactate racemization / lactate racemase / cysteine to alanine
Function / homology
Function and homology information


pyridinium-3,5-bisthiocarboxylic acid mononucleotide synthase / NAD+ synthase (glutamine-hydrolyzing) activity / sulfurtransferase activity / lyase activity / ATP binding
Similarity search - Function
Pyridinium-3,5-bisthiocarboxylic acid mononucleotide synthase LarE / NAD/GMP synthase / NAD synthase / Rossmann-like alpha/beta/alpha sandwich fold
Similarity search - Domain/homology
PHOSPHATE ION / Uncharacterized protein / Pyridinium-3,5-bisthiocarboxylic acid mononucleotide synthase
Similarity search - Component
Biological speciesLactobacillus plantarum (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.35 Å
AuthorsFellner, M. / Hausinger, R.P. / Hu, J.
Funding support United States, 1items
OrganizationGrant numberCountry
National Science Foundation (NSF, United States)CHE-1516126 United States
CitationJournal: Biochemistry / Year: 2018
Title: Analysis of the Active Site Cysteine Residue of the Sacrificial Sulfur Insertase LarE from Lactobacillus plantarum.
Authors: Fellner, M. / Rankin, J.A. / Desguin, B. / Hu, J. / Hausinger, R.P.
History
DepositionSep 20, 2017Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 5, 2018Provider: repository / Type: Initial release
Revision 1.1Sep 12, 2018Group: Data collection / Database references / Category: citation
Item: _citation.journal_id_ISSN / _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2Oct 10, 2018Group: Data collection / Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.3Feb 20, 2019Group: Author supporting evidence / Data collection / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.4Nov 27, 2019Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.5Oct 4, 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_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: ATP-utilizing enzyme of the PP-loopsuperfamily
B: ATP-utilizing enzyme of the PP-loopsuperfamily
C: ATP-utilizing enzyme of the PP-loopsuperfamily
D: ATP-utilizing enzyme of the PP-loopsuperfamily
E: ATP-utilizing enzyme of the PP-loopsuperfamily
F: ATP-utilizing enzyme of the PP-loopsuperfamily
hetero molecules


Theoretical massNumber of molelcules
Total (without water)191,17017
Polymers190,1206
Non-polymers1,05011
Water8,881493
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: gel filtration
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area13210 Å2
ΔGint-65 kcal/mol
Surface area63850 Å2
MethodPISA
Unit cell
Length a, b, c (Å)108.660, 108.660, 328.666
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number91
Space group name H-MP4122
Components on special symmetry positions
IDModelComponents
11B-495-

HOH

21B-529-

HOH

31E-445-

HOH

41E-451-

HOH

Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and (resid 5 through 6 or (resid 7...
21(chain B and (resid 5 through 6 or (resid 7...
31(chain C and (resid 5 through 6 or (resid 7...
41(chain D and (resid 5 through 43 or (resid 44...
51(chain E and (resid 5 through 6 or (resid 7...
61(chain F and (resid 5 through 6 or (resid 7...

NCS domain segments:

Ens-ID: 1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11ALAALATHRTHR(chain A and (resid 5 through 6 or (resid 7...AA5 - 65 - 6
12LYSLYSALAALA(chain A and (resid 5 through 6 or (resid 7...AA7 - 97 - 9
13ALAALAALAALA(chain A and (resid 5 through 6 or (resid 7...AA2 - 2762 - 276
14ALAALAALAALA(chain A and (resid 5 through 6 or (resid 7...AA2 - 2762 - 276
15ALAALAALAALA(chain A and (resid 5 through 6 or (resid 7...AA2 - 2762 - 276
16ALAALAALAALA(chain A and (resid 5 through 6 or (resid 7...AA2 - 2762 - 276
21ALAALATHRTHR(chain B and (resid 5 through 6 or (resid 7...BB5 - 65 - 6
22LYSLYSALAALA(chain B and (resid 5 through 6 or (resid 7...BB7 - 97 - 9
23ALAALAARGARG(chain B and (resid 5 through 6 or (resid 7...BB2 - 2592 - 259
24ALAALAARGARG(chain B and (resid 5 through 6 or (resid 7...BB2 - 2592 - 259
25ALAALAARGARG(chain B and (resid 5 through 6 or (resid 7...BB2 - 2592 - 259
26ALAALAARGARG(chain B and (resid 5 through 6 or (resid 7...BB2 - 2592 - 259
31ALAALATHRTHR(chain C and (resid 5 through 6 or (resid 7...CC5 - 65 - 6
32LYSLYSALAALA(chain C and (resid 5 through 6 or (resid 7...CC7 - 97 - 9
33ALAALAARGARG(chain C and (resid 5 through 6 or (resid 7...CC2 - 2592 - 259
34ALAALAARGARG(chain C and (resid 5 through 6 or (resid 7...CC2 - 2592 - 259
35ALAALAARGARG(chain C and (resid 5 through 6 or (resid 7...CC2 - 2592 - 259
36ALAALAARGARG(chain C and (resid 5 through 6 or (resid 7...CC2 - 2592 - 259
41ALAALAGLYGLY(chain D and (resid 5 through 43 or (resid 44...DD5 - 435 - 43
42ARGARGARGARG(chain D and (resid 5 through 43 or (resid 44...DD4444
43ALAALAARGARG(chain D and (resid 5 through 43 or (resid 44...DD5 - 2595 - 259
44ALAALAARGARG(chain D and (resid 5 through 43 or (resid 44...DD5 - 2595 - 259
45ALAALAARGARG(chain D and (resid 5 through 43 or (resid 44...DD5 - 2595 - 259
46ALAALAARGARG(chain D and (resid 5 through 43 or (resid 44...DD5 - 2595 - 259
47ALAALAARGARG(chain D and (resid 5 through 43 or (resid 44...DD5 - 2595 - 259
48ALAALAARGARG(chain D and (resid 5 through 43 or (resid 44...DD5 - 2595 - 259
49ALAALAARGARG(chain D and (resid 5 through 43 or (resid 44...DD5 - 2595 - 259
51ALAALATHRTHR(chain E and (resid 5 through 6 or (resid 7...EE5 - 65 - 6
52LYSLYSALAALA(chain E and (resid 5 through 6 or (resid 7...EE7 - 97 - 9
53ALAALATRPTRP(chain E and (resid 5 through 6 or (resid 7...EE2 - 2792 - 279
54ALAALATRPTRP(chain E and (resid 5 through 6 or (resid 7...EE2 - 2792 - 279
55ALAALATRPTRP(chain E and (resid 5 through 6 or (resid 7...EE2 - 2792 - 279
56ALAALATRPTRP(chain E and (resid 5 through 6 or (resid 7...EE2 - 2792 - 279
61ALAALATHRTHR(chain F and (resid 5 through 6 or (resid 7...FF5 - 65 - 6
62LYSLYSALAALA(chain F and (resid 5 through 6 or (resid 7...FF7 - 97 - 9
63ALAALASERSER(chain F and (resid 5 through 6 or (resid 7...FF2 - 2602 - 260
64ALAALASERSER(chain F and (resid 5 through 6 or (resid 7...FF2 - 2602 - 260
65ALAALASERSER(chain F and (resid 5 through 6 or (resid 7...FF2 - 2602 - 260
66ALAALASERSER(chain F and (resid 5 through 6 or (resid 7...FF2 - 2602 - 260

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Components

#1: Protein
ATP-utilizing enzyme of the PP-loopsuperfamily / Lactate racemization operon protein LarE / PP-loop superfamily ATP-binding protein / TIGR00268 family protein


Mass: 31686.703 Da / Num. of mol.: 6 / Mutation: C176A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Lactobacillus plantarum (bacteria)
Gene: A8P51_04975, AVR82_02840, BIZ32_00440, IV39_GL000116, LPJSA22_00116, Nizo1839_0768, Nizo2891_3302, SRCM101060_01452
Plasmid: pGIR076-C176A / Production host: Escherichia coli (E. coli) / Strain (production host): Arctic express DE3 / References: UniProt: A0A0G9FES3, UniProt: F9UST4*PLUS
#2: Chemical
ChemComp-PO4 / PHOSPHATE ION


Mass: 94.971 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: PO4
#3: Chemical
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: SO4
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 493 / 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: 2.55 Å3/Da / Density % sol: 51.79 % / Mosaicity: 0.17 °
Crystal growTemperature: 294.15 K / Method: vapor diffusion, hanging drop / pH: 6.5
Details: 5 ul 8 mg/ml LarE-C176A (100 mM Tris-HCl pH 7.5, 300 mM NaCl) were mixed with 5 ul of reservoir solution. Hanging drop reservoir contained 100 ul of 30.0% v/v pentaerythritol ethoxylate ...Details: 5 ul 8 mg/ml LarE-C176A (100 mM Tris-HCl pH 7.5, 300 mM NaCl) were mixed with 5 ul of reservoir solution. Hanging drop reservoir contained 100 ul of 30.0% v/v pentaerythritol ethoxylate (15/4 EO/OH), 50 mM BIS-TRIS pH 6.5, 100 mM ammonium sulfate.

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 21-ID-G / Wavelength: 0.9786 Å
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Nov 25, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9786 Å / Relative weight: 1
ReflectionResolution: 2.35→48.67 Å / Num. obs: 82741 / % possible obs: 99.5 % / Redundancy: 11.3 % / Biso Wilson estimate: 41.84 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.108 / Rpim(I) all: 0.034 / Rrim(I) all: 0.114 / Net I/σ(I): 18.9 / Num. measured all: 932078 / Scaling rejects: 2
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique obsCC1/2Rpim(I) allRrim(I) all% possible all
2.35-2.3911.21.1343450.7020.3471.18397.3
12.19-48.678.10.0237080.9990.0080.02597.4

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Phasing

PhasingMethod: molecular replacement
Phasing MR
Highest resolutionLowest resolution
Rotation7.61 Å48.67 Å
Translation7.61 Å48.67 Å

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Processing

Software
NameVersionClassification
Aimless0.5.28data scaling
PHASER2.7.16phasing
PHENIX1.12-2829refinement
PDB_EXTRACT3.22data extraction
XDSdata reduction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5UDQ

5udq


Resolution: 2.35→48.67 Å / SU ML: 0.33 / Cross valid method: FREE R-VALUE / σ(F): 1.91 / Phase error: 24.94
RfactorNum. reflection% reflection
Rfree0.2436 7813 5 %
Rwork0.1872 --
obs0.19 78172 99.41 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 160.55 Å2 / Biso mean: 56.3395 Å2 / Biso min: 22.03 Å2
Refinement stepCycle: final / Resolution: 2.35→48.67 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11365 0 55 493 11913
Biso mean--52.18 48.37 -
Num. residues----1500
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00711585
X-RAY DIFFRACTIONf_angle_d0.92215729
X-RAY DIFFRACTIONf_chiral_restr0.0591843
X-RAY DIFFRACTIONf_plane_restr0.0062035
X-RAY DIFFRACTIONf_dihedral_angle_d4.1026859
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A6043X-RAY DIFFRACTION10.225TORSIONAL
12B6043X-RAY DIFFRACTION10.225TORSIONAL
13C6043X-RAY DIFFRACTION10.225TORSIONAL
14D6043X-RAY DIFFRACTION10.225TORSIONAL
15E6043X-RAY DIFFRACTION10.225TORSIONAL
16F6043X-RAY DIFFRACTION10.225TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 30

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.3466-2.37330.3362220.29244781500395
2.3733-2.40120.3442450.26784989523499
2.4012-2.43050.30312670.2644903517099
2.4305-2.46130.33952870.26644914520199
2.4613-2.49370.33662750.28264920519599
2.4937-2.52780.33752540.26835014526899
2.5278-2.56390.33042470.25284895514299
2.5639-2.60220.31522600.24854986524699
2.6022-2.64290.30022560.23614971522799
2.6429-2.68620.31782610.23164894515599
2.6862-2.73250.27072320.234978521099
2.7325-2.78220.30932630.22654966522999
2.7822-2.83570.25542600.223549665226100
2.8357-2.89360.27692630.214949355198100
2.8936-2.95650.28222820.220549555237100
2.9565-3.02520.32512650.231949825247100
3.0252-3.10090.30412870.225549035190100
3.1009-3.18470.30472290.220249915220100
3.1847-3.27840.26472670.204549575224100
3.2784-3.38420.27042550.200649785233100
3.3842-3.50510.25832470.184349775224100
3.5051-3.64540.21782700.176349435213100
3.6454-3.81130.22942820.16549245206100
3.8113-4.01210.18872470.152350035250100
4.0121-4.26330.20832460.147950035249100
4.2633-4.59230.18282410.13549745215100
4.5923-5.0540.20472780.135649645242100
5.054-5.78430.17832750.149249605235100
5.7843-7.28370.20612970.169749525249100
7.2837-48.6840.20212530.1664952520599
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)
16.70454.87590.91357.61550.30452.9041-0.05070.21440.157-0.08570.18630.1458-0.0140.2431-0.15080.34130.0693-0.0440.40340.00380.244618.97830.2741-14.3094
22.8698-3.01581.2232.2764-5.3953.92080.41790.4655-0.2121-1.8221-0.7358-0.34351.23681.09680.24150.70390.2519-0.02570.72020.02440.398518.1865-16.221-25.6837
39.9189-1.93513.72286.9883-2.59067.95180.26821.2152-0.5494-0.43050.0771-0.64580.64342.1854-0.35650.3699-0.0080.01060.7293-0.07980.439229.8318-0.3801-15.3048
40.4339-0.4086-0.73564.3496-0.57410.05320.04430.11-0.0639-0.6333-0.1360.2494-0.1211-0.1270.08870.5890.1643-0.13640.46080.00870.367917.1303-21.5325-8.6772
55.0592-1.93870.16332.14280.01632.37350.18550.32140.4223-0.2454-0.1176-0.1714-0.24090.0465-0.06310.44430.0697-0.03540.29530.02860.365724.3859-32.6371-1.6398
61.18270.3371-0.2361.8915-2.58234.47270.00010.00980.20770.1459-0.1542-0.0168-0.34450.20460.13420.25470.014-0.06770.1979-0.04850.32858.92381.976423.032
76.26827.5639-4.0639.349-6.29696.1786-0.18930.35110.52630.08120.39620.7354-0.1103-0.4962-0.15840.30640.0832-0.10130.3275-0.06010.34-1.49320.067129.2981
83.0056-2.8532-5.6055.66863.22867.6359-0.35020.456-0.63950.1584-0.16470.50830.731-0.70760.5040.3187-0.0152-0.07040.37070.01330.38494.86560.691112.1305
9-0.3981-0.22740.33151.5793-0.9981.22770.0310.07960.0968-0.3643-0.06320.06110.2231-0.12520.04120.3522-0.0061-0.04830.2819-0.01420.296712.869-15.153629.1874
103.1971-0.83350.08285.99832.56062.6669-0.0527-0.0881-0.0325-0.171-0.0013-0.0378-0.06570.11340.11250.25820.0041-0.00720.25930.00840.214318.3889-27.038627.5268
117.41652.1137-2.42488.76123.05539.018-0.48430.15760.0601-0.0971-0.2988-0.1858-0.0235-0.24760.7590.27030.0576-0.05960.1614-0.01860.35613.4167-29.590228.9395
125.7463-4.0481-0.2646.1179-0.76272.16520.1386-0.1609-0.2318-0.09370.11620.1637-0.0620.0835-0.24230.3163-0.0576-0.06080.24950.0240.367444.16644.752310.9521
138.4273-6.32446.93132.07011.67061.9346-0.23-0.61880.41550.61680.0696-0.9896-0.4632-0.57770.3790.3667-0.03450.01560.441-0.10370.520655.02714.258314.965
146.2053-3.3265-2.35635.10832.77863.6657-0.5675-1.4931-0.15320.49050.3801-0.26240.11850.46430.15740.4261-0.05070.01090.51980.04920.426644.135910.510720.9983
152.19820.76072.58360.49890.26151.7263-0.1324-0.6492-0.4205-0.18820.39011.41730.5085-0.4104-0.23950.4958-0.0203-0.00860.5420.29050.859531.40351.714215.0456
163.04670.99920.40853.38090.871.7579-0.02-0.07660.1901-0.11130.0536-0.2621-0.16460.0132-0.04080.39370.07190.01240.27580.03820.308645.9637-23.801513.9402
178.40222.5108-2.05543.7839-4.07174.25970.0037-0.05140.8893-0.01250.20190.327-0.00180.0801-0.29610.34320.0499-0.02970.2606-0.02450.261146.0876-28.398318.3048
186.6355-4.95741.20774.8090.71492.5224-0.8227-1.29290.35170.91521.4325-0.98160.11220.3457-0.5351.64750.18510.46850.6887-0.00021.17720.7603-77.834835.2743
190.60751.52280.74424.2912.20251.21070.1996-0.5434-1.0127-1.1569-1.00250.36211.3563-0.60390.64451.3263-0.04410.37730.36160.07791.12528.0404-70.481131.9963
202.9266-1.7555-0.41795.63491.58651.10410.00440.2697-0.8245-2.129-0.60780.25191.05310.15010.51152.0728-0.10220.20050.54780.03650.82389.0087-70.731326.3124
212.0531-2.7263-0.98538.2192-0.71921.2538-0.4251-1.1154-0.47790.33110.35240.32140.3225-0.01670.07670.647-0.13220.16980.7134-0.00440.55991.5708-54.22642.8307
224.6262-2.12860.66178.10916.98647.7540.0607-1.392-0.54291.6927-0.13150.70571.55690.1950.1280.875-0.08570.15970.67210.12810.53076.0768-66.987343.5946
231.2706-1.645-0.1785.77974.88045.83471.1519-0.55560.9415-0.1050.0213-0.2627-0.53331.309-1.19371.52560.25650.35891.20010.21060.714220.4333-73.498541.4437
242.5402-2.7172-2.27872.21512.25041.80350.966-0.34240.5652-1.67440.0347-1.375-0.71921.0496-0.91381.13620.08250.3040.8764-0.12051.151724.6788-68.407427.4143
252.42361.36820.28983.19930.45234.45910.0775-0.0225-0.34260.0545-0.13280.07750.5843-0.14180.05960.44850.0295-0.00780.2096-0.05150.374210.4216-44.176425.7821
264.91284.36940.57628.00974.86019.9453-0.5874-0.3521-0.30790.3560.04380.11770.5492-0.30980.44070.3423-0.02470.08970.2512-0.00630.225811.6628-38.362327.609
271.07312.04440.64769.50593.38232.67190.0396-0.0971-0.47420.79930.0243-0.6470.92250.2813-0.06020.67810.146-0.00690.46140.010.514952.5789-64.939525.4631
283.4597-0.50180.38834.1599-0.65755.3107-0.02470.1946-0.0551-0.32130.069-0.19180.14930.2079-0.05270.29090.0389-0.02080.26750.03820.24844.2348-39.439422.4114
290.69250.2054-0.40724.9942-1.99372.7538-0.02750.13-0.2421-0.3506-0.09720.26590.1418-0.08050.11680.50430.0164-0.02280.3051-0.04490.592925.2097-76.4889-3.3577
306.6683-0.9691-3.16127.06055.2498.62710.07470.64990.769-0.236-0.61171.4966-0.8943-1.25810.49270.5510.03660.01520.33460.050.963915.7987-79.57013.7849
310.3457-0.60940.45926.0838-4.87983.7070.2185-0.0284-0.261-0.09820.14570.67650.11730.0197-0.37620.55130.0337-0.12150.3078-0.01740.426324.4107-62.1437-1.2686
325.1093-1.3739-0.09474.55921.21412.428-0.0941-0.0529-0.2656-0.16730.04980.20580.3820.03160.05650.41710.0416-0.0430.21330.05190.252129.3162-46.0574-1.0536
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 2 through 80 )A2 - 80
2X-RAY DIFFRACTION2chain 'A' and (resid 81 through 115 )A81 - 115
3X-RAY DIFFRACTION3chain 'A' and (resid 116 through 164 )A116 - 164
4X-RAY DIFFRACTION4chain 'A' and (resid 165 through 206 )A165 - 206
5X-RAY DIFFRACTION5chain 'A' and (resid 207 through 276 )A207 - 276
6X-RAY DIFFRACTION6chain 'B' and (resid 2 through 95 )B2 - 95
7X-RAY DIFFRACTION7chain 'B' and (resid 96 through 115 )B96 - 115
8X-RAY DIFFRACTION8chain 'B' and (resid 116 through 164 )B116 - 164
9X-RAY DIFFRACTION9chain 'B' and (resid 165 through 206 )B165 - 206
10X-RAY DIFFRACTION10chain 'B' and (resid 207 through 245 )B207 - 245
11X-RAY DIFFRACTION11chain 'B' and (resid 246 through 259 )B246 - 259
12X-RAY DIFFRACTION12chain 'C' and (resid 2 through 95 )C2 - 95
13X-RAY DIFFRACTION13chain 'C' and (resid 96 through 115 )C96 - 115
14X-RAY DIFFRACTION14chain 'C' and (resid 116 through 154 )C116 - 154
15X-RAY DIFFRACTION15chain 'C' and (resid 155 through 177 )C155 - 177
16X-RAY DIFFRACTION16chain 'C' and (resid 178 through 245 )C178 - 245
17X-RAY DIFFRACTION17chain 'C' and (resid 246 through 259 )C246 - 259
18X-RAY DIFFRACTION18chain 'D' and (resid 5 through 42 )D5 - 42
19X-RAY DIFFRACTION19chain 'D' and (resid 43 through 58 )D43 - 58
20X-RAY DIFFRACTION20chain 'D' and (resid 59 through 80 )D59 - 80
21X-RAY DIFFRACTION21chain 'D' and (resid 81 through 95 )D81 - 95
22X-RAY DIFFRACTION22chain 'D' and (resid 96 through 115 )D96 - 115
23X-RAY DIFFRACTION23chain 'D' and (resid 116 through 154 )D116 - 154
24X-RAY DIFFRACTION24chain 'D' and (resid 155 through 177 )D155 - 177
25X-RAY DIFFRACTION25chain 'D' and (resid 178 through 245 )D178 - 245
26X-RAY DIFFRACTION26chain 'D' and (resid 246 through 259 )D246 - 259
27X-RAY DIFFRACTION27chain 'E' and (resid 2 through 189 )E2 - 189
28X-RAY DIFFRACTION28chain 'E' and (resid 190 through 279 )E190 - 279
29X-RAY DIFFRACTION29chain 'F' and (resid 2 through 115 )F2 - 115
30X-RAY DIFFRACTION30chain 'F' and (resid 116 through 164 )F116 - 164
31X-RAY DIFFRACTION31chain 'F' and (resid 165 through 189 )F165 - 189
32X-RAY DIFFRACTION32chain 'F' and (resid 190 through 260 )F190 - 260

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