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- PDB-5jmv: Crystal structure of mjKae1-pfuPcc1 complex -

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Open data


ID or keywords:

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Basic information

Entry
Database: PDB / ID: 5jmv
TitleCrystal structure of mjKae1-pfuPcc1 complex
Components
  • Probable bifunctional tRNA threonylcarbamoyladenosine biosynthesis protein
  • Uncharacterized protein
KeywordsTRANSFERASE / tRNA modification
Function / homology
Function and homology information


N6-L-threonylcarbamoyladenine synthase / N(6)-L-threonylcarbamoyladenine synthase activity / EKC/KEOPS complex / tRNA threonylcarbamoyladenosine modification / protein serine/threonine/tyrosine kinase activity / metalloendopeptidase activity / non-specific serine/threonine protein kinase / iron ion binding / phosphorylation / protein serine kinase activity ...N6-L-threonylcarbamoyladenine synthase / N(6)-L-threonylcarbamoyladenine synthase activity / EKC/KEOPS complex / tRNA threonylcarbamoyladenosine modification / protein serine/threonine/tyrosine kinase activity / metalloendopeptidase activity / non-specific serine/threonine protein kinase / iron ion binding / phosphorylation / protein serine kinase activity / protein serine/threonine kinase activity / zinc ion binding / ATP binding / cytoplasm
Similarity search - Function
Probable bifunctional tRNA threonylcarbamoyladenosine biosynthesis protein / tRNA N6-adenosine threonylcarbamoyltransferase Kae1, archaea and eukaryote / Serine/threonine-protein kinase Bud32 / Peptidase M22, conserved site / Glycoprotease family signature. / CTAG/Pcc1 family / Transcription factor Pcc1 / Kae1/TsaD family / Gcp-like domain / tRNA N6-adenosine threonylcarbamoyltransferase ...Probable bifunctional tRNA threonylcarbamoyladenosine biosynthesis protein / tRNA N6-adenosine threonylcarbamoyltransferase Kae1, archaea and eukaryote / Serine/threonine-protein kinase Bud32 / Peptidase M22, conserved site / Glycoprotease family signature. / CTAG/Pcc1 family / Transcription factor Pcc1 / Kae1/TsaD family / Gcp-like domain / tRNA N6-adenosine threonylcarbamoyltransferase / RIO1 family / Alpha-D-phosphohexomutase, C-terminal domain / TATA-Binding Protein / ATPase, nucleotide binding domain / ATPase, nucleotide binding domain / Nucleotidyltransferase; domain 5 / Tyrosine protein kinases specific active-site signature. / Tyrosine-protein kinase, active site / Protein kinase domain profile. / Protein kinase domain / Protein kinase-like domain superfamily / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
ADENOSINE MONOPHOSPHATE / Probable bifunctional tRNA threonylcarbamoyladenosine biosynthesis protein / KEOPS complex subunit Pcc1
Similarity search - Component
Biological speciesMethanocaldococcus jannaschii (archaea)
Pyrococcus furiosus (archaea)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 3.38646964319 Å
AuthorsWan, L. / Sicheri, F.
Funding support Canada, 1items
OrganizationGrant numberCountry
CIHR Foundation GrantFDN 143277 Canada
CitationJournal: Nucleic Acids Res. / Year: 2016
Title: Structural and functional characterization of KEOPS dimerization by Pcc1 and its role in t6A biosynthesis.
Authors: Wan, L.C. / Pillon, M.C. / Thevakumaran, N. / Sun, Y. / Chakrabartty, A. / Guarne, A. / Kurinov, I. / Durocher, D. / Sicheri, F.
History
DepositionApr 29, 2016Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 6, 2016Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2016Group: Structure summary
Revision 1.2Aug 31, 2016Group: Database references
Revision 1.3Nov 22, 2017Group: Database references / Derived calculations / Refinement description
Category: citation / pdbx_struct_oper_list / software
Item: _citation.journal_id_CSD / _pdbx_struct_oper_list.symmetry_operation / _software.name
Revision 1.4Sep 27, 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: Probable bifunctional tRNA threonylcarbamoyladenosine biosynthesis protein
B: Probable bifunctional tRNA threonylcarbamoyladenosine biosynthesis protein
C: Probable bifunctional tRNA threonylcarbamoyladenosine biosynthesis protein
D: Uncharacterized protein
E: Uncharacterized protein
F: Uncharacterized protein
G: Uncharacterized protein
H: Uncharacterized protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)166,19414
Polymers165,0808
Non-polymers1,1156
Water00
1
A: Probable bifunctional tRNA threonylcarbamoyladenosine biosynthesis protein
B: Probable bifunctional tRNA threonylcarbamoyladenosine biosynthesis protein
D: Uncharacterized protein
E: Uncharacterized protein
F: Uncharacterized protein
G: Uncharacterized protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)117,38410
Polymers116,6416
Non-polymers7434
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: Probable bifunctional tRNA threonylcarbamoyladenosine biosynthesis protein
H: Uncharacterized protein
hetero molecules

C: Probable bifunctional tRNA threonylcarbamoyladenosine biosynthesis protein
H: Uncharacterized protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)97,6198
Polymers96,8764
Non-polymers7434
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation7_645y+1,x-1,-z1
Unit cell
Length a, b, c (Å)121.913, 121.913, 310.613
Angle α, β, γ (deg.)90.0, 90.0, 90.0
Int Tables number96
Space group name H-MP43212
Space group name HallP4nw2abw
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
31
12
22
32
42
52

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
111PROPROMETMETchain 'A'AA0 - 315 - 36
121ASNASNILEILEchain 'A'AA40 - 32445 - 329
211PROPROMETMETchain 'B'BB0 - 315 - 36
221ASNASNILEILEchain 'B'BB40 - 32445 - 329
311PROPROMETMETchain 'C'CC0 - 315 - 36
321ASNASNILEILEchain 'C'CC40 - 32445 - 329
112ARGARGLEULEUchain 'D'DD5 - 3210 - 37
122GLUGLULYSLYSchain 'D'DD40 - 4445 - 49
132ILEILEILEILEchain 'D'DD50 - 8055 - 85
212ARGARGLEULEUchain 'E'EE5 - 3210 - 37
222GLUGLULYSLYSchain 'E'EE40 - 4445 - 49
232ILEILEILEILEchain 'E'EE50 - 8055 - 85
312ARGARGLEULEUchain 'F'FF5 - 3210 - 37
322GLUGLULYSLYSchain 'F'FF40 - 4445 - 49
332ILEILEILEILEchain 'F'FF50 - 8055 - 85
412ARGARGLEULEUchain 'G'GG5 - 3210 - 37
422GLUGLULYSLYSchain 'G'GG40 - 4445 - 49
432ILEILEILEILEchain 'G'GG50 - 8055 - 85
512ARGARGLEULEUchain 'H'HH5 - 3210 - 37
522GLUGLULYSLYSchain 'H'HH40 - 4445 - 49
532ILEILEILEILEchain 'H'HH50 - 8055 - 85

NCS ensembles :
ID
1
2

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Components

#1: Protein Probable bifunctional tRNA threonylcarbamoyladenosine biosynthesis protein


Mass: 38555.711 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Methanocaldococcus jannaschii (strain ATCC 43067 / DSM 2661 / JAL-1 / JCM 10045 / NBRC 100440) (archaea)
Strain: ATCC 43067 / DSM 2661 / JAL-1 / JCM 10045 / NBRC 100440
Gene: MJ1130 / Production host: Escherichia coli (E. coli)
References: UniProt: Q58530, N6-L-threonylcarbamoyladenine synthase, non-specific serine/threonine protein kinase
#2: Protein
Uncharacterized protein


Mass: 9882.477 Da / Num. of mol.: 5
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Pyrococcus furiosus (strain ATCC 43587 / DSM 3638 / JCM 8422 / Vc1) (archaea)
Strain: ATCC 43587 / DSM 3638 / JCM 8422 / Vc1 / Gene: PF2011 / Production host: Escherichia coli (E. coli) / References: UniProt: Q8TZI1
#3: Chemical ChemComp-AMP / ADENOSINE MONOPHOSPHATE


Mass: 347.221 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C10H14N5O7P / Comment: AMP*YM
#4: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Mg

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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: 3.5 Å3/Da / Density % sol: 64.88 %
Crystal growTemperature: 293.15 K / Method: vapor diffusion, sitting drop / pH: 6.5
Details: 0.1 M Sodium Cacodylate pH 6.5 and 1.26 M Ammonium Sulfate

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Data collection

DiffractionMean temperature: 93.15 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.9792 Å
DetectorType: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Feb 16, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9792 Å / Relative weight: 1
ReflectionResolution: 3.4→50 Å / Num. obs: 33825 / % possible obs: 99.9 % / Redundancy: 8.4 % / Biso Wilson estimate: 63.0706493277 Å2 / CC1/2: 0.439 / Rsym value: 0.136 / Net I/σ(I): 13.6

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassification
PHASERphasing
PHENIX1.9_1692refinement
HKL-2000data reduction
HKL-2000data scaling
PDB_EXTRACT3.2data extraction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2IVP for chains A-C and 3ENC for chains D-H

2ivp

3enc


Resolution: 3.38646964319→48.241450813 Å / SU ML: 0.400943058682 / Cross valid method: FREE R-VALUE / σ(F): 1.33623300521 / Phase error: 23.679314769
RfactorNum. reflection% reflection
Rfree0.243212133818 1419 5.03369989358 %
Rwork0.200425568412 26771 -
obs0.202641779643 28190 84.1090822294 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 68.6947387896 Å2
Refinement stepCycle: LAST / Resolution: 3.38646964319→48.241450813 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms10363 0 72 0 10435
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0022447283584310619
X-RAY DIFFRACTIONf_angle_d0.67383271263114370
X-RAY DIFFRACTIONf_chiral_restr0.02436831734641659
X-RAY DIFFRACTIONf_plane_restr0.00265821530661807
X-RAY DIFFRACTIONf_dihedral_angle_d11.58697352393946
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.3865-3.50750.391809242216420.301471723482721X-RAY DIFFRACTION23.4769230769
3.5075-3.64790.343578850612630.2776002335941322X-RAY DIFFRACTION42.4976986806
3.6479-3.81380.3165653681221270.2497074276472333X-RAY DIFFRACTION74.0963855422
3.8138-4.01480.2766613552221520.2185240935673075X-RAY DIFFRACTION97.7878787879
4.0148-4.26620.242778891151550.1987770109173138X-RAY DIFFRACTION99.9089805825
4.2662-4.59530.2135893484891840.165984300853144X-RAY DIFFRACTION99.9699609492
4.5953-5.05740.1941838188731620.1604416637743193X-RAY DIFFRACTION100
5.0574-5.78810.2624599929651800.2006919761843187X-RAY DIFFRACTION99.9406352033
5.7881-7.28840.289338007581710.2312844124943237X-RAY DIFFRACTION100
7.2884-48.24630.1995817568771830.1868425959213421X-RAY DIFFRACTION99.5305164319
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)
11.10501682464-0.4664605179590.3721290053140.423315519583-0.3966968134960.386882688927-0.109327828104-0.04094599136480.152067053685-0.221033889276-0.1365116192450.540702719117-0.348309819765-0.4291136037750.04639880781090.302665421610.546476468225-0.3863515159750.590766115459-0.1643598454520.494800743268152.280308677139.67643411522.0554927072
21.092235486970.3475215897860.4731771621742.02841512681-0.2044181489320.368812214573-0.1717923222560.1749442680760.5940724882150.1362505186590.03966962817330.375878200394-0.340757386037-0.2866402859330.1378312285670.6948937630980.270534101675-0.2857312196150.3895887498530.09677630038240.416327288728167.427454572153.87568364519.4611681833
30.247304346090.2634080549850.1669811347860.4409576088870.4712542101420.586335303052-0.1117512811220.287811586640.274578598902-0.403694413990.1371564839130.263530883803-0.5155449483710.1034749172810.4026992707090.7352510152450.291449328814-0.402681501450.3707549171630.1287621847310.413255737173169.810816467155.54055377617.1036459835
42.42664152565-0.7495388800320.8363962657162.32427285782-0.6721054408182.5593589539-0.001509778447910.0602207697245-0.221081063679-0.0950721375704-0.2475969011840.8143056517320.313589014929-0.813586044950.1225028135690.2606837365070.00944389518347-0.07460786468620.521929447654-0.1758747753980.418512150285150.007890991110.0117261413.33366077781
53.777849539051.081328021451.502309598876.854185664644.25325621494.24421505127-0.3361026468490.700320269381-1.19397754655-0.7819347933020.01092730009850.2524383656540.707006741533-0.7819308460750.2108633575071.17299393944-0.2776139912190.163774838350.648673458917-0.1349537341260.785162315807159.48747664785.4592422099-2.89829965069
62.62146062579-1.060972910350.6396093221011.070016376690.1570716572071.3529523018-0.133661154366-0.107393931203-0.7343452857360.1387882705140.06573517676640.3855964307940.938281983352-0.4681929603190.04135104239860.784994184247-0.2440054227890.06507082963510.522333873983-0.07973231076230.461078557482157.07131879195.46356648759.23231223533
75.88783155733-5.852456146167.636223154159.216125720342.000005951791.999999914674.167683915392.41949544109-0.6202181369731.37048979332-1.317437103940.4534208249373.475540515562.2101663944-2.849625396551.304864333060.1763738788970.2064547435840.870064513276-0.425306774041.14138391513161.755435498106.24776166126.5819372181
81.760275890940.3851207290250.1482665991573.79380700961-1.244642735751.746030272440.1783945175330.1446266066180.336825275299-0.2747995977210.218933856839-0.5392497717960.0124685585687-0.161903994798-0.2778934393420.9452404023250.150869026144-0.01181249308890.2113016088740.08714415311680.698078356532186.84747080390.9736847115.3578498241
92.2755414123-0.5115914688660.511451807123.369917898672.499857792494.288212865450.06488111527260.04212024133120.0189718482625-0.3217147254350.0604188027919-0.437839331364-0.03318956099290.0917461924792-0.1120323663481.22748180040.2246220243290.0009528955779130.326974682475-0.001275701356470.309155786465183.59266781270.49536069821.7550733512
101.62577330164-0.843474992194-0.295524504543.19870861995-1.079025542671.055221045120.096827890515-0.2519086863380.133473705160.070840924011-0.0506861392278-0.347838047762-0.161870648351-0.0278047701306-0.0187345204050.9675290488130.185522514093-0.1455704679650.322984996930.02668140684880.287890510624182.53622849171.306461541625.0534568156
112.73502820218-1.548121358752.408040625373.007157938650.4205150600233.767493235010.330471626008-0.198853761826-0.9846096912970.218196964054-0.5159709259560.4976981824590.921604921436-0.9379210391410.03320589564840.363479948643-0.06100568701960.03793519315020.585934241344-0.07953213705820.428470223988154.401833298122.30453126435.8134850914
128.225585927681.318934036131.812605686385.434923113313.14917744872.93154698823-0.1045335428930.09565276169230.976148002608-0.0364394463182-0.220196162991-1.05655298124-0.02982665483151.074162016740.3914315421630.3146149457160.1118467474570.00547925659570.6645467118820.2518391163710.677453473377169.592700137128.9196763636.5905350542
134.433111846786.327190271962.582743336729.947887607215.085160117146.504954067950.568430484451-1.26108102045-0.6326092140780.381005060491-0.7338427063110.02068212823621.31529883964-0.1733387254160.1116218194850.939584082247-0.04180863556060.1125102368270.5335536081880.04861956291060.343261010703157.745480609118.78231215538.0615045094
148.77824384901-0.05804137351896.826952701720.08276899032-0.006724522400566.15176617599-0.0129787931772-1.179103361330.3214653794610.432794699458-0.4504795060930.01618744167730.807344091763-0.3967510264220.4690876651630.4459740862840.1064007285060.1055571456190.763621865759-0.05300367110460.446580563344160.745019006122.91918131244.5964798794
155.41832176026-1.873466180810.2725665478547.020983042520.3944872563615.52505912914-0.324365041373-0.3562611378930.3599400028260.0740276679204-0.205020124820.475544291098-0.605641712024-0.9855504094630.4170973860090.2826748632360.1579353657090.1210192828760.337365625603-0.07488160956210.250079119301155.219030369132.12275366837.8541870886
166.457843055741.88815849123.977715129367.075751503333.205929980956.017813975820.0824614712012-1.2439840855-0.4262640467841.25112880756-0.105510263627-0.2076706568480.574836806615-0.161734089347-0.03106161009250.668007379926-0.007821516182630.01802783353930.6862249455160.08310218756580.35384394399158.546366664127.97719226461.0222357331
177.23291937049-3.853263181813.941536063129.71177331394-4.235605719466.819024278530.100293048354-0.498011073719-0.04081105078890.9332083644210.0233027456460.8606956689990.696051581501-0.726434131862-0.1113582710940.745130815966-0.124423744660.2014514264490.973360005073-0.2649756461440.475996851365153.051431983129.1142802560.7633709014
184.45078917303-0.7596003509426.46517231161.63133092462-0.3177408333479.798681931520.5703227525150.1628397262020.368495230706-0.0959254620582-0.6203457517140.03603025221290.641941439661-0.7430246723160.09278219879820.756001776017-0.1002857249490.3488543564830.9389618779480.01810035869170.485396706956151.634923179126.25219341752.9262357948
196.185039277373.124907865825.240114455732.471874647232.772590237244.45662419352-0.6605275964260.5729091337280.8002307794630.00134326445535-0.1770599103390.274754711083-0.7900753817760.4532627179890.8571382004430.4516088234230.159202971358-0.1471287967820.779945709344-0.02376477019830.317570167367159.299640676136.06304795154.3017191931
206.38484766458-2.11287045333-5.887025657891.767832031442.70226926567.188816213250.03352210250030.1816687506420.381941628775-0.0742646832893-0.103719131752-0.11703247653-0.372858689676-0.5629946078310.03196379998750.9083179358870.0307076934544-0.4850426490950.8701909238940.1793159026630.597542793156158.193278539128.811387871-20.593089956
217.53570046663-0.799071528964.817996260651.0328896524-1.768084712688.2763247168-0.465823281535-0.7097434911610.5001875713560.06598265584540.488508703879-0.0358586989414-0.325793367445-0.06081896453060.04127794752620.462185241625-0.131155904621-0.2082462386390.4315831330330.03635634168330.229549307742161.390009625123.774556958-8.52144719465
222.31308028336-1.57182157888-1.983214369963.10096727053.934462397797.84821029106-0.04621217701630.1164753938420.110636182436-0.2541921631470.139787692115-0.00359215795235-0.7144490670820.5049395266320.005671536449150.839249532493-0.148755711262-0.3771301974820.538202193656-0.001327629394630.375118391038163.104082699127.917612019-17.5669329209
230.04958885785030.05411933119740.1682153540240.3485141448690.2441862497670.5854635341580.02071083394190.242965207195-0.115139487014-0.0645330957256-0.1501991802840.136747724822-0.0219958998231-0.2083820947030.07224238842670.440630719166-0.123734706617-0.3626126260860.632976511893-0.09413670947630.302725824506156.07656313118.478028039-15.7704370412
245.303684855080.6663831480471.101708468541.302864949242.589914860288.409449522170.05367096204050.889766388419-0.0387789399246-0.26428453937-0.1637081476230.00185586029958-0.6190341273530.03614629434960.0385658376181.09473183879-0.115838669808-0.4042339772510.593414548638-0.00663647716360.370797393935159.322671181121.482685921-37.5632812964
257.710140569310.679385814288-4.367357823410.748780700081.247756221876.346115538310.24572891903-0.5735749803230.132358337571-0.0552486315795-0.2518764377070.021577258861-0.9412424244320.1714095761830.04452891433341.19951318388-0.0068641236144-0.5663596763140.869536216121-0.02541267319980.610468015265156.073689103126.651388123-33.4453812877
266.07266540707-2.31986645483-5.115622704263.251373982544.038496139067.49406819946-0.55018785909-0.3633865798280.04229150961040.3787785862580.2907024460960.01472578965210.614367891392-0.1609714835750.1265316596180.59277004542-0.0315102688975-0.2013548507590.630733366107-0.2402821414960.394862437533157.833471716114.732910377-30.8084400054
272.44778971615-0.381050912722-3.041402236741.094896044782.008448297856.052412368270.5751604715540.6421278808572.31264678157-0.195086289379-0.0633745148301-1.78119585626-1.505602966350.614732779135-0.4859367094650.953009729811-0.2147513958760.3997866347630.7463330044540.08995260110291.70389039544212.74977060697.33579251752.55937769878
283.751691392510.846194280563-2.259784448891.717341998732.380655910776.834876745930.294331475317-0.1096108036541.669825289740.838815661079-0.0504238933612-1.39720892169-1.783105928110.759454385082-0.2060728872090.969538501328-0.227439266201-0.09829148887950.615846385507-0.007390474655331.46203150799203.24335882100.01898651613.3299639902
292.175176126821.849537470970.3253958351591.95682066643-1.57441629888.974699885160.243508134391-0.5268294181821.38552457511-0.7046878660740.127969374727-2.99682750258-0.5989953350171.80924523559-0.3424067140620.71214100064-0.09543251381480.06153223919990.87586017355-0.05602419131091.65735835279215.42627371592.73151481758.94923264113
302.4725824768-0.329834987990.09620816962624.75601880456-0.2549435695031.600809504090.4039654531150.0606528139573-0.381476523213-0.5752710093150.0464079350727-0.323955917206-0.3533563769480.169108261294-0.4451404381950.70343172676-0.03738000260410.03615032631290.322320217305-0.008317736883911.33415325815203.43314086190.77082135475.2215787488
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid -2 through 99 )
2X-RAY DIFFRACTION2chain 'A' and (resid 100 through 182 )
3X-RAY DIFFRACTION3chain 'A' and (resid 183 through 325 )
4X-RAY DIFFRACTION4chain 'B' and (resid -2 through 132 )
5X-RAY DIFFRACTION5chain 'B' and (resid 133 through 215 )
6X-RAY DIFFRACTION6chain 'B' and (resid 216 through 324 )
7X-RAY DIFFRACTION7chain 'B' and (resid 325 through 325 )
8X-RAY DIFFRACTION8chain 'C' and (resid 0 through 115 )
9X-RAY DIFFRACTION9chain 'C' and (resid 116 through 182 )
10X-RAY DIFFRACTION10chain 'C' and (resid 183 through 324 )
11X-RAY DIFFRACTION11chain 'D' and (resid 5 through 31 )
12X-RAY DIFFRACTION12chain 'D' and (resid 32 through 39 )
13X-RAY DIFFRACTION13chain 'D' and (resid 40 through 48 )
14X-RAY DIFFRACTION14chain 'D' and (resid 49 through 58 )
15X-RAY DIFFRACTION15chain 'D' and (resid 59 through 82 )
16X-RAY DIFFRACTION16chain 'E' and (resid 5 through 29 )
17X-RAY DIFFRACTION17chain 'E' and (resid 30 through 48 )
18X-RAY DIFFRACTION18chain 'E' and (resid 49 through 58 )
19X-RAY DIFFRACTION19chain 'E' and (resid 59 through 82 )
20X-RAY DIFFRACTION20chain 'F' and (resid 5 through 16 )
21X-RAY DIFFRACTION21chain 'F' and (resid 17 through 39 )
22X-RAY DIFFRACTION22chain 'F' and (resid 40 through 58 )
23X-RAY DIFFRACTION23chain 'F' and (resid 59 through 80 )
24X-RAY DIFFRACTION24chain 'G' and (resid 5 through 39 )
25X-RAY DIFFRACTION25chain 'G' and (resid 40 through 58 )
26X-RAY DIFFRACTION26chain 'G' and (resid 59 through 81 )
27X-RAY DIFFRACTION27chain 'H' and (resid 5 through 16 )
28X-RAY DIFFRACTION28chain 'H' and (resid 17 through 32 )
29X-RAY DIFFRACTION29chain 'H' and (resid 40 through 58 )
30X-RAY DIFFRACTION30chain 'H' and (resid 59 through 81 )

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