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- PDB-5bka: 2.1 Angstrom structure of ActVI-ORFA from Streptomyces Coelicolor -

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Basic information

Entry
Database: PDB / ID: 5bka
Title2.1 Angstrom structure of ActVI-ORFA from Streptomyces Coelicolor
ComponentsHydroxylacyl-CoA dehydrogenase
KeywordsOXIDOREDUCTASE / actinorhodin / benzoisochromaquinone
Function / homologySnoaL-like domain / SnoaL-like domain / Nuclear Transport Factor 2; Chain: A, - #50 / NTF2-like domain superfamily / Nuclear Transport Factor 2; Chain: A, / Roll / Alpha Beta / Hydroxylacyl-CoA dehydrogenase
Function and homology information
Biological speciesStreptomyces coelicolor (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.11 Å
AuthorsVuksanovic, N. / Silvaggi, N.R.
CitationJournal: Acta Crystallogr.,Sect.F / Year: 2020
Title: Structural characterization of three noncanonical NTF2-like superfamily proteins: implications for polyketide biosynthesis.
Authors: Vuksanovic, N. / Zhu, X. / Serrano, D.A. / Siitonen, V. / Metsa-Ketela, M. / Melancon 3rd, C.E. / Silvaggi, N.R.
History
DepositionJun 2, 2019Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jun 3, 2020Provider: repository / Type: Initial release
Revision 1.1Jun 17, 2020Group: Database references / Structure summary / Category: audit_author / citation_author / Item: _audit_author.name
Revision 1.2Sep 2, 2020Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.3Oct 30, 2024Group: Data collection / Database references ...Data collection / Database references / Refinement description / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_entry_details.has_protein_modification / _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: Hydroxylacyl-CoA dehydrogenase
B: Hydroxylacyl-CoA dehydrogenase
C: Hydroxylacyl-CoA dehydrogenase
D: Hydroxylacyl-CoA dehydrogenase
E: Hydroxylacyl-CoA dehydrogenase
F: Hydroxylacyl-CoA dehydrogenase


Theoretical massNumber of molelcules
Total (without water)97,7526
Polymers97,7526
Non-polymers00
Water5,963331
1
A: Hydroxylacyl-CoA dehydrogenase
B: Hydroxylacyl-CoA dehydrogenase
C: Hydroxylacyl-CoA dehydrogenase


Theoretical massNumber of molelcules
Total (without water)48,8763
Polymers48,8763
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area5910 Å2
ΔGint-43 kcal/mol
Surface area16740 Å2
MethodPISA
2
D: Hydroxylacyl-CoA dehydrogenase
E: Hydroxylacyl-CoA dehydrogenase
F: Hydroxylacyl-CoA dehydrogenase


Theoretical massNumber of molelcules
Total (without water)48,8763
Polymers48,8763
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area6160 Å2
ΔGint-46 kcal/mol
Surface area17390 Å2
MethodPISA
Unit cell
Length a, b, c (Å)82.266, 52.916, 98.931
Angle α, β, γ (deg.)90.000, 104.330, 90.000
Int Tables number3
Space group name H-MP121
Space group name HallP2y
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
31
41
51

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
11GLYGLYHISHIS(chain 'A' and (resid 9 through 23 or (resid 24...AA9 - 209 - 20
12GLNGLNPHEPHE(chain 'A' and (resid 9 through 23 or (resid 24...AA23 - 3723 - 37
13GLYGLYGLUGLU(chain 'A' and (resid 9 through 23 or (resid 24...AA41 - 4241 - 42
14ALAALALEULEU(chain 'A' and (resid 9 through 23 or (resid 24...AA51 - 6251 - 62
15LYSLYSLEULEU(chain 'A' and (resid 9 through 23 or (resid 24...AA73 - 8573 - 85
16ILEILELEULEU(chain 'A' and (resid 9 through 23 or (resid 24...AA93 - 12393 - 123
17LEULEUHISHIS(chain 'A' and (resid 9 through 23 or (resid 24...AA131 - 142131 - 142
21GLYGLYHISHIS(chain 'B' and (resid 9 through 12 or (resid 13...BB9 - 209 - 20
22GLNGLNPHEPHE(chain 'B' and (resid 9 through 12 or (resid 13...BB23 - 3723 - 37
23GLYGLYGLUGLU(chain 'B' and (resid 9 through 12 or (resid 13...BB41 - 4241 - 42
24ALAALALEULEU(chain 'B' and (resid 9 through 12 or (resid 13...BB51 - 6251 - 62
25LYSLYSLEULEU(chain 'B' and (resid 9 through 12 or (resid 13...BB73 - 8573 - 85
26ILEILELEULEU(chain 'B' and (resid 9 through 12 or (resid 13...BB93 - 12393 - 123
27LEULEUHISHIS(chain 'B' and (resid 9 through 12 or (resid 13...BB131 - 142131 - 142
31GLYGLYHISHIS(chain 'C' and (resid 9 through 12 or (resid 13...CC9 - 209 - 20
32GLNGLNPHEPHE(chain 'C' and (resid 9 through 12 or (resid 13...CC23 - 3723 - 37
33GLYGLYGLUGLU(chain 'C' and (resid 9 through 12 or (resid 13...CC41 - 4241 - 42
34ALAALALEULEU(chain 'C' and (resid 9 through 12 or (resid 13...CC51 - 6251 - 62
35LYSLYSLEULEU(chain 'C' and (resid 9 through 12 or (resid 13...CC73 - 8573 - 85
36ILEILELEULEU(chain 'C' and (resid 9 through 12 or (resid 13...CC93 - 12393 - 123
37LEULEUHISHIS(chain 'C' and (resid 9 through 12 or (resid 13...CC131 - 142131 - 142
41GLYGLYHISHIS(chain 'D' and (resid 9 through 12 or (resid 13...DD9 - 209 - 20
42GLNGLNPHEPHE(chain 'D' and (resid 9 through 12 or (resid 13...DD23 - 3723 - 37
43GLYGLYGLUGLU(chain 'D' and (resid 9 through 12 or (resid 13...DD41 - 4241 - 42
44ALAALALEULEU(chain 'D' and (resid 9 through 12 or (resid 13...DD51 - 6251 - 62
45LYSLYSLEULEU(chain 'D' and (resid 9 through 12 or (resid 13...DD73 - 8573 - 85
46ILEILELEULEU(chain 'D' and (resid 9 through 12 or (resid 13...DD93 - 12393 - 123
47LEULEUHISHIS(chain 'D' and (resid 9 through 12 or (resid 13...DD131 - 142131 - 142
51GLYGLYHISHIS(chain 'F' and (resid 9 through 12 or (resid 13...FF9 - 209 - 20
52GLNGLNPHEPHE(chain 'F' and (resid 9 through 12 or (resid 13...FF23 - 3723 - 37
53GLYGLYGLUGLU(chain 'F' and (resid 9 through 12 or (resid 13...FF41 - 4241 - 42
54ALAALALEULEU(chain 'F' and (resid 9 through 12 or (resid 13...FF51 - 6251 - 62
55LYSLYSLEULEU(chain 'F' and (resid 9 through 12 or (resid 13...FF73 - 8573 - 85
56ILEILELEULEU(chain 'F' and (resid 9 through 12 or (resid 13...FF93 - 12393 - 123
57LEULEUHISHIS(chain 'F' and (resid 9 through 12 or (resid 13...FF131 - 142131 - 142

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Components

#1: Protein
Hydroxylacyl-CoA dehydrogenase


Mass: 16292.017 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145) (bacteria)
Strain: ATCC BAA-471 / A3(2) / M145 / Gene: SCO5071 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q7AKI2
#2: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 331 / Source method: isolated from a natural source / Formula: H2O
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: 2.33 Å3/Da / Density % sol: 47.22 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / pH: 4.5 / Details: 20% PEG 3350, 0.1 M Sodium Citrate pH 4.5

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-D / Wavelength: 0.97934 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jun 22, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97934 Å / Relative weight: 1
ReflectionResolution: 2.11→34.94 Å / Num. obs: 47829 / % possible obs: 95.91 % / Redundancy: 3.3 % / Biso Wilson estimate: 25.51 Å2 / Rrim(I) all: 0.096 / Net I/σ(I): 8.31
Reflection shellResolution: 2.11→2.185 Å / Num. unique obs: 3240 / Rrim(I) all: 0.84

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Processing

Software
NameVersionClassification
PHENIX1.16_3549refinement
PHENIX1.16_3549refinement
HKL-3000data reduction
HKL-3000data scaling
SHELXDphasing
RefinementMethod to determine structure: SAD / Resolution: 2.11→34.91 Å / SU ML: 0.251 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 24.9619
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflectionSelection details
Rfree0.2467 2168 4.72 %RANDOM
Rwork0.2243 43768 --
obs0.2254 45936 95.83 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 39.08 Å2
Refinement stepCycle: LAST / Resolution: 2.11→34.91 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms5999 0 0 331 6330
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00496159
X-RAY DIFFRACTIONf_angle_d0.81188354
X-RAY DIFFRACTIONf_chiral_restr0.0524933
X-RAY DIFFRACTIONf_plane_restr0.00441073
X-RAY DIFFRACTIONf_dihedral_angle_d6.24373733
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.11-2.160.3352830.28441788X-RAY DIFFRACTION59.45
2.16-2.210.27861390.27862648X-RAY DIFFRACTION88.17
2.21-2.270.31751410.26112879X-RAY DIFFRACTION95.42
2.27-2.340.30831420.25312996X-RAY DIFFRACTION98.74
2.34-2.410.2871570.25193011X-RAY DIFFRACTION99.53
2.41-2.50.24391410.23963022X-RAY DIFFRACTION99.72
2.5-2.60.25911510.24273004X-RAY DIFFRACTION99.87
2.6-2.720.25431540.23393008X-RAY DIFFRACTION99.65
2.72-2.860.25631500.22543044X-RAY DIFFRACTION99.69
2.86-3.040.28991520.22263043X-RAY DIFFRACTION99.84
3.04-3.280.2421500.21393032X-RAY DIFFRACTION99.56
3.28-3.610.23931470.20183042X-RAY DIFFRACTION99.47
3.61-4.130.21621560.19613074X-RAY DIFFRACTION99.97
4.13-5.20.1891710.18453046X-RAY DIFFRACTION99.72
5.2-34.910.26391340.26043131X-RAY DIFFRACTION98.08
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)
19.1887612653-2.040930459864.454580978092.93320569217-1.119390932792.165848671960.0484955988893-0.0107423910368-0.1636120504780.00372480578992-0.1509145395270.1941372446340.0015983291638-0.2368118602420.1063617344880.403511103839-0.271566488668-0.01991989716261.18612257336-0.1094898350880.5033246384666.1179618033-8.548379327268.0385471963
20.54630096650.4346640250830.4222425050940.3912704014770.33349712811.43715111452-0.086863990072-0.1862104396550.1480539838040.08134576437870.0211890614724-0.0524271138461-0.3380778519960.2330515775990.02324187085490.726418187035-0.3045034007360.2572370705240.734054124178-0.526753521568-0.03138100447846.9139593372-3.6997137031570.3164254164
31.63738540692-0.7717713990630.8107749595970.492466369204-0.4570554427260.444983294141-0.318752100629-0.6473600155720.6320422430170.2076217031090.122166794480.278826799349-0.668867150584-0.1909017574240.2152140445650.7456217192740.08512325416040.3401512419140.138685570139-0.2525169234990.5037925871934.34188023282.7268477840267.9540312231
40.6301811184670.1293670320450.1666066558471.492420248840.2692781720750.4643994579480.04997233474360.1524180988180.260145871763-0.1479378677490.115273349155-0.118464683548-0.3437501262430.172514155917-0.1106955627211.38755537641-0.4875082220420.3404191275710.213617432276-0.5168737061690.88616907488842.420846427811.442479137565.7937733299
54.743367481232.29443400241.85681124973.31983376704-0.6168552430482.874761925840.1550841220360.1197101721080.685436091076-0.1795899290590.121031085980.103301207959-0.842919394373-0.211251114854-0.2559101677020.525249944281-0.00154632792590.09120371909870.154848106993-0.02558566633380.24979444439835.1101520585-2.6992909400161.8880214347
60.846856809892-0.0540080652491-0.6015818320022.661669333880.0580799839123.314215329730.238373968677-0.1589517419510.2511155169150.07454408726570.4831605792310.0638239937708-0.7353921305970.494409189859-0.4657330023250.385409952973-0.1049687871060.08672086880470.174585920583-0.06226126911560.20589831445640.2960065563-5.4285437011358.6216332694
71.2332258820.4009978044911.41048969951.57862524781.166610284123.158944750150.13710365313-0.2831428160560.6213759917060.196913060608-0.0623579576331-0.244243646075-0.7192378038870.491923836089-0.0002277956750480.79872333086-0.7648717461890.1309622640730.236309146858-0.5178993102450.38052793138448.55852680882.6579450779757.3256882589
82.417328796920.610304976998-0.8560746214242.68658417241-0.7336088119022.68687278305-0.0380169260155-0.708960947675-0.541323630240.007121813762770.1694347228060.214430533740.3064914509950.0795040351098-0.1472779819270.4020311809330.1859384231650.07586123719220.4940827809390.2479956660150.47077642562338.3073619052-23.36163826373.9805395215
92.43569283204-2.202814812172.183124552775.11689231336-3.34238872613.4460203823-0.07197602899640.3882800038360.251318681704-0.705232203816-0.188290674372-0.10877302061-0.1500852297020.2128457675780.2480213575650.6949417180940.1255968526340.08954476662680.5225925036970.2596802126940.54455785084123.0987474551-21.565111053975.9860136302
104.211784279652.142129869993.176888334122.428362248713.968999753436.5218915476-0.2037346074840.4423472446570.187445882743-0.4645917241710.1394069992290.401563989081-0.166601475844-0.214775559944-0.001437252088110.570528828347-0.009957766395140.1214725391510.4353497086660.2558891872790.75888615080826.5503797801-29.607988907970.7282219597
114.72055381265-0.301783410387-0.293093001086.699523840551.929036707127.054273556890.05754327415650.00291892913079-0.670782181166-0.04680157021860.06825387582360.7474541045430.792142637084-0.427321897719-0.1176443856880.3610943559770.0570688814323-0.02579849292580.1537199027130.1286146100750.46685998703134.6988846101-22.384391370960.6467722536
122.36388759879-0.03742394141350.2277910116211.58490978413-0.7798780695933.504418392460.0112393840854-0.636485934623-0.4448161291560.2858422509280.3624094710970.240010186837-0.202103866939-0.00557723248118-0.3505681304950.289718416950.09348429415060.09063095558450.3401292064360.1472532531040.35418520535535.4178816059-15.724368434171.040621757
133.055110875330.671812788046-0.7779951769621.025110246840.02047320166862.538991403260.0418097317145-0.0875377130794-0.481805770619-0.1071997243980.121951103127-0.2560583770330.278963296620.714451408858-0.02005323447210.258009081435-0.05338541757190.05069866881910.964455025244-0.2803318230740.37290023148557.9420786645-17.384672202956.3182885952
144.225657683230.101012921791-0.7040294684913.36662205377-0.679638430922.356441316140.08655586966890.155220442883-0.1016703407-0.2028179821680.0233118879490.244179120923-0.056014786054-0.3719138165-0.08157638460840.47068536120.1996470765630.05481721584571.25529383209-0.3441195687770.65561830402157.8381959304-24.998925189345.1814693895
152.90452093392-2.95377254189-0.369214685156.059820631682.779892556021.940644373860.238228697570.0355101927893-0.08269930510910.0371425303914-0.0224149109965-0.2386735565690.1066288291690.289998964418-0.1817328000740.754369126460.03765929084480.09913700365970.944127422685-0.1562209882250.47810599450749.3881081988-12.342426850938.6435814436
163.59121967801-0.3476881055251.098197674924.99447186659-1.996146381615.944236216330.109066300070.142205552355-0.414928897567-0.3582705171070.139292727253-0.130144159040.1042344394490.848141067588-0.1563592007910.173638513132-0.004076823519810.04673328146730.244446184691-0.1149483367150.23247044198844.9239349724-15.328090833554.2833360549
177.66296485471.699269342481.492102493041.799497855080.006882414067841.88631232088-0.0330590466821-0.435869582815-0.4012062471440.04098315614190.0577929871429-0.1048235131260.2000722268830.911568887743-0.0006829246978540.2945748581510.2054962201250.04667783424420.814814081225-0.2264886137710.60748957577654.8016130036-24.515894872557.8358772661
182.416670438040.220745834659-0.1892952687774.73153322711-0.02239239334851.665779063930.004542204939070.161334662278-0.528034564084-0.467549178025-0.02146098929030.1310002699570.583902561572-0.233353318364-0.03656422942890.269967467848-0.0987494262483-0.004764708379860.202675154777-0.08469868715980.352278247864-6.47318478248-8.2886612317581.8859439036
196.106385411571.3119608783-2.240169832920.649645239702-1.340422830472.82557369622-0.1243501350830.228727381855-0.301390022988-0.1627746164140.189656893595-0.6795070096350.05926936057280.320448778287-0.05414363007830.733086474116-0.0961755552610.06029308339310.343858067386-0.1240470837330.7950340134123.55322932316-18.87601071180.2926402622
201.043348530621.977989643462.063093364635.182109655555.20839675775.28843293215-0.0206944225399-0.182553054676-0.7199285769930.3259040095270.384579662566-0.4966906124060.6838695303580.270089779515-0.3520972785730.5504902865870.0036051282378-0.03317279027150.2119838244410.06942673454990.5437156643042.22049627841-16.417150102993.6736163083
212.44861872868-0.535971079793-0.6445217764122.6684278699-0.7707925870351.7678397552-0.1550976665810.055116489497-0.317278944466-0.1094949075740.124299097816-0.0973636040460.14130023985-0.0161561072419-0.002523152495020.120849398916-0.0359871288222-0.02501380059930.13731580765-0.03666384269420.1920743935393.83956119204-1.5521855412986.2968165737
228.229181735792.578764054873.710302191942.593803695661.0406999022.106056998540.02436122731350.237027425826-0.561736564036-0.144187004602-0.00394422533632-0.01537953623260.42659790874-0.0256772815608-0.1074420178330.357976401034-0.1212424991140.03673341433890.261627999392-0.2095970940090.4029805186721.20068345222-10.035554268276.9007457619
233.94024316263-0.710603915562-1.182798004594.440116976430.04737682963224.707844961210.1670109430710.1768198849930.176276923867-0.156153044631-0.0870754745284-0.136794513194-0.276331108424-0.348292845511-0.1243740020890.1619929894130.0265896107359-0.01466279026060.103000675180.005506236850310.185282754785-9.7434105632615.15148324185.2844298785
244.680954421210.5400817561472.400104281389.39640862671-3.494726279329.71342075274-0.11135492882-0.626090411855-0.1989447511560.5659360035090.1567435282270.117662690857-0.024064460982-0.298927970253-0.02606907420960.2032091262630.06079460040640.03463262197570.375287855997-0.1156400559170.273227561274-15.148816612615.534053162199.8597262317
255.427084942651.915868248123.113143317382.262332404810.7817201063091.948154649130.100347601378-0.1286636594420.05580178790390.2181762042460.302923460845-0.536998559641-0.09893551023440.934542320722-0.364235877570.4190874651610.057009434323-0.05004578044670.608028822295-0.2732155229010.440017565943-7.0254952377323.040079322399.4919405036
262.134214763780.155466544281-0.7618773020312.294977731760.212512055952.44065224035-0.104745975789-0.2639021110710.405404531899-0.0918237974681-0.03797834366290.0897759042965-0.194114061419-0.07504667180540.1348417251550.137778569202-0.00773694361161-0.05000952005670.1128778715-0.07011475640790.213907291485-4.290229813610.851672516390.5873860255
272.02467362127-3.487779416473.500212694554.18922131897-0.65855418544.20149790533-0.021515529456-0.687744581652-0.3590339646270.245596584580.1160977109720.2515878178380.0478191305331-0.0848183987137-0.0985080690620.113588915283-0.02422732141760.04388946018640.1929234488520.003514630602840.170781156765-9.183528656976.8844564923997.9020692765
285.296304629270.54879044674-1.271671822823.03905963137-0.8294733055373.67759834070.1042201657360.8040122180350.335762833309-0.6383639074330.0126859949614-0.174738005542-0.1900489468090.0586408694569-0.09832266744520.394562746481-0.01968939679370.05171298059410.2631808769530.0011997036550.1605555727565.2135097297910.406767344467.9042399568
292.748484290191.580741471121.208255197613.82273824622.120557205721.22830037176-0.0376622771596-0.252860285592-0.1519741132330.305397952889-0.0307956649697-0.1537412173670.373104125855-0.228914307890.04846300971420.66036799195-0.03102629191590.1012788872520.5865171040710.1828490966220.55883139525315.464235200723.541746393569.9160898768
307.88382367439-0.2636792320935.156342657873.46660420318-2.628641788862.00444521810.166889550367-0.0970928802863-0.1236752285430.210269729372-0.335773675356-0.4904704108790.04508830947680.8492963290340.1648547898710.580655339351-0.1757463992360.3945587114350.678981065232-0.005909551858420.50941687859217.558838288714.220579411265.3244311609
313.043092596812.430985380580.4512449428062.0002989565-2.849961440576.231392609730.1576681982510.685955716279-0.153407274175-0.993828449644-0.24989381251-0.2755826015120.2588251781250.4138353292540.110117210260.495123562310.0787022853190.07132326587370.702605493214-0.05810122280450.60248755187824.10466865212.851013121374.5356520042
323.86644224774-0.330980937573-1.000943800283.439863161640.5672546685392.677348746140.2026951382130.605951238110.396952533626-0.39641403009-0.08412081810970.0108529338444-0.4314053991360.0265413105407-0.117275931990.271402582042-0.05885493921340.04578580899970.2239890330840.007350235091910.1394287938112.3609317228512.863323454475.3406822029
332.07458537836-0.956181615813-1.009212327353.578276988740.5401715865251.489096587870.1026881114820.0828469837290.27051429261-0.1783598935450.0780563969991-0.122452362099-0.2074817402430.187154597485-0.1849704618750.185448409288-0.05004197604050.004347423151410.15825035109-0.01785163974490.1489678809967.1878849950711.537033080579.6315311821
346.86228512671-7.476623619651.570960598028.1476322167-1.727653232392.056563928850.03011482967710.01659951019940.01844127171310.1764734956320.105566422232-0.7184118248610.04518238128270.251573756834-0.1217386087570.165635440578-0.0189474111299-0.06370030304030.327420223419-0.107931629190.31339173383717.21100511752.3834823720686.3825278786
355.450635502210.09168559539713.107404411183.49108688785-0.2094178337299.09705198984-0.003686191980880.7985045153390.432253364576-0.6143704205340.0708813956504-0.00933475814315-0.6673989118090.122222386999-0.07262225958680.3861068130020.01934171470080.08691212587030.2688403500810.05786779902810.2260037998623.7602328335317.654102614470.9180951101
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 2 through 7 )
2X-RAY DIFFRACTION2chain 'A' and (resid 8 through 24 )
3X-RAY DIFFRACTION3chain 'A' and (resid 25 through 29 )
4X-RAY DIFFRACTION4chain 'A' and (resid 30 through 62 )
5X-RAY DIFFRACTION5chain 'A' and (resid 63 through 81 )
6X-RAY DIFFRACTION6chain 'A' and (resid 82 through 115 )
7X-RAY DIFFRACTION7chain 'A' and (resid 116 through 145 )
8X-RAY DIFFRACTION8chain 'B' and (resid 9 through 44 )
9X-RAY DIFFRACTION9chain 'B' and (resid 45 through 54 )
10X-RAY DIFFRACTION10chain 'B' and (resid 55 through 68 )
11X-RAY DIFFRACTION11chain 'B' and (resid 69 through 81 )
12X-RAY DIFFRACTION12chain 'B' and (resid 82 through 143 )
13X-RAY DIFFRACTION13chain 'C' and (resid 9 through 44 )
14X-RAY DIFFRACTION14chain 'C' and (resid 45 through 64 )
15X-RAY DIFFRACTION15chain 'C' and (resid 65 through 73 )
16X-RAY DIFFRACTION16chain 'C' and (resid 74 through 115 )
17X-RAY DIFFRACTION17chain 'C' and (resid 116 through 143 )
18X-RAY DIFFRACTION18chain 'D' and (resid 6 through 41 )
19X-RAY DIFFRACTION19chain 'D' and (resid 42 through 54 )
20X-RAY DIFFRACTION20chain 'D' and (resid 55 through 73 )
21X-RAY DIFFRACTION21chain 'D' and (resid 74 through 115 )
22X-RAY DIFFRACTION22chain 'D' and (resid 116 through 144 )
23X-RAY DIFFRACTION23chain 'E' and (resid 7 through 36 )
24X-RAY DIFFRACTION24chain 'E' and (resid 37 through 54 )
25X-RAY DIFFRACTION25chain 'E' and (resid 55 through 68 )
26X-RAY DIFFRACTION26chain 'E' and (resid 69 through 130 )
27X-RAY DIFFRACTION27chain 'E' and (resid 131 through 145 )
28X-RAY DIFFRACTION28chain 'F' and (resid 8 through 44 )
29X-RAY DIFFRACTION29chain 'F' and (resid 45 through 54 )
30X-RAY DIFFRACTION30chain 'F' and (resid 55 through 65 )
31X-RAY DIFFRACTION31chain 'F' and (resid 66 through 73 )
32X-RAY DIFFRACTION32chain 'F' and (resid 74 through 92 )
33X-RAY DIFFRACTION33chain 'F' and (resid 93 through 105 )
34X-RAY DIFFRACTION34chain 'F' and (resid 106 through 115 )
35X-RAY DIFFRACTION35chain 'F' and (resid 116 through 143 )

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