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- PDB-7szd: Crystal Structure Analysis of human PRPK complex with a compound -

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Basic information

Entry
Database: PDB / ID: 7szd
TitleCrystal Structure Analysis of human PRPK complex with a compound
Components
  • EKC/KEOPS complex subunit TP53RK
  • EKC/KEOPS complex subunit TPRKB
KeywordsTRANSFERASE / protein kinase / p53 / immunomodulatory drugs / IMiDs
Function / homology
Function and homology information


tRNA threonylcarbamoyladenosine metabolic process / EKC/KEOPS complex / tRNA threonylcarbamoyladenosine modification / Hydrolases; Acting on acid anhydrides / tRNA modification in the nucleus and cytosol / tRNA processing / regulation of signal transduction by p53 class mediator / p53 binding / Regulation of TP53 Activity through Phosphorylation / hydrolase activity ...tRNA threonylcarbamoyladenosine metabolic process / EKC/KEOPS complex / tRNA threonylcarbamoyladenosine modification / Hydrolases; Acting on acid anhydrides / tRNA modification in the nucleus and cytosol / tRNA processing / regulation of signal transduction by p53 class mediator / p53 binding / Regulation of TP53 Activity through Phosphorylation / hydrolase activity / non-specific serine/threonine protein kinase / protein phosphorylation / protein serine kinase activity / protein serine/threonine kinase activity / protein kinase binding / nucleoplasm / ATP binding / nucleus / cytosol / cytoplasm
Similarity search - Function
Lipopolysaccharide kinase (Kdo/WaaP) family / Serine/threonine-protein kinase Bud32 / CGI121/TPRKB / CGI121/TPRKB superfamily / Kinase binding protein CGI-121 / Tyrosine protein kinases specific active-site signature. / Tyrosine-protein kinase, active site / Serine/Threonine protein kinases, catalytic domain / Protein kinase domain profile. / Protein kinase domain / Protein kinase-like domain superfamily
Similarity search - Domain/homology
Chem-DVO / EKC/KEOPS complex subunit TP53RK / EKC/KEOPS complex subunit TPRKB
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.05 Å
AuthorsSeo, H.-S. / Dhe-Paganon, S.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Cancer Institute (NIH/NCI) United States
CitationJournal: Biorxiv / Year: 2021
Title: Development of PRPK Directed Phthalimides
Authors: Seo, H.-S. / Mizutani, T. / Hideshima, T. / Vangos, N.E. / Zhang, T. / Anderson, K.C. / Gray, N.S. / Dhe-Paganon, S.
History
DepositionNov 27, 2021Deposition site: RCSB / Processing site: RCSB
Revision 1.0Dec 14, 2022Provider: repository / Type: Initial release
Revision 1.1Oct 25, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.2Feb 7, 2024Group: 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.pdbx_database_id_DOI / _citation.title / _citation.year

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: EKC/KEOPS complex subunit TP53RK
B: EKC/KEOPS complex subunit TPRKB
C: EKC/KEOPS complex subunit TP53RK
D: EKC/KEOPS complex subunit TPRKB
hetero molecules


Theoretical massNumber of molelcules
Total (without water)97,3026
Polymers96,6704
Non-polymers6332
Water86548
1
A: EKC/KEOPS complex subunit TP53RK
B: EKC/KEOPS complex subunit TPRKB
hetero molecules


Theoretical massNumber of molelcules
Total (without water)48,6513
Polymers48,3352
Non-polymers3161
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2730 Å2
ΔGint-16 kcal/mol
Surface area18420 Å2
MethodPISA
2
C: EKC/KEOPS complex subunit TP53RK
D: EKC/KEOPS complex subunit TPRKB
hetero molecules


Theoretical massNumber of molelcules
Total (without water)48,6513
Polymers48,3352
Non-polymers3161
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2780 Å2
ΔGint-15 kcal/mol
Surface area18760 Å2
MethodPISA
Unit cell
Length a, b, c (Å)65.578, 79.038, 100.889
Angle α, β, γ (deg.)90.000, 105.614, 90.000
Int Tables number4
Space group name H-MP1211
Space group name HallP2yb
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
12
22

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection detailsAuth asym-IDAuth seq-ID
111(chain 'A' and (resid 18 through 77 or resid 79...A18 - 76
121(chain 'A' and (resid 18 through 77 or resid 79...A79 - 142
131(chain 'A' and (resid 18 through 77 or resid 79...A145 - 192
141(chain 'A' and (resid 18 through 77 or resid 79...A195 - 248
211(chain 'C' and (resid 18 through 68 or (resid 69...C18 - 76
221(chain 'C' and (resid 18 through 68 or (resid 69...C79 - 142
231(chain 'C' and (resid 18 through 68 or (resid 69...C145 - 192
241(chain 'C' and (resid 18 through 68 or (resid 69...C195 - 248
112(chain 'B' and (resid 0 through 13 or resid 15 through 70 or resid 72 through 4000))B0 - 12
122(chain 'B' and (resid 0 through 13 or resid 15 through 70 or resid 72 through 4000))B15 - 69
132(chain 'B' and (resid 0 through 13 or resid 15 through 70 or resid 72 through 4000))B72 - 174
142(chain 'B' and (resid 0 through 13 or resid 15 through 70 or resid 72 through 4000))B4000
212(chain 'D' and (resid 0 through 13 or resid 15 through 70 or resid 72 through 4000))D0 - 12
222(chain 'D' and (resid 0 through 13 or resid 15 through 70 or resid 72 through 4000))D15 - 69
232(chain 'D' and (resid 0 through 13 or resid 15 through 70 or resid 72 through 4000))D72 - 174
242(chain 'D' and (resid 0 through 13 or resid 15 through 70 or resid 72 through 4000))D4000

NCS ensembles :
ID
1
2

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Components

#1: Protein EKC/KEOPS complex subunit TP53RK / Atypical serine/threonine protein kinase TP53RK / Nori-2 / TP53-regulating kinase / p53-related protein kinase


Mass: 28358.646 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: TP53RK, C20orf64, PRPK / Production host: Escherichia coli BL21(DE3) (bacteria)
References: UniProt: Q96S44, Hydrolases; Acting on acid anhydrides, non-specific serine/threonine protein kinase
#2: Protein EKC/KEOPS complex subunit TPRKB / PRPK-binding protein / TP53RK-binding protein


Mass: 19976.223 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: TPRKB, CGI-121, My019 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q9Y3C4
#3: Chemical ChemComp-DVO / 2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid


Mass: 316.266 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C15H12N2O6 / Feature type: SUBJECT OF INVESTIGATION
#4: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 48 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestY

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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: 2.61 Å3/Da / Density % sol: 52.8 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5 / Details: 100mM HEPES pH 7.5, 12% PEG 5000 MME, 10mM TCEP

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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 PILATUS 6M / Detector: PIXEL / Date: Feb 16, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9792 Å / Relative weight: 1
ReflectionResolution: 2.05→97.17 Å / Num. obs: 28212 / % possible obs: 89.9 % / Redundancy: 3.4 % / Biso Wilson estimate: 46.07 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.062 / Rpim(I) all: 0.04 / Net I/σ(I): 10.3
Reflection shellResolution: 2.05→2.12 Å / Num. unique obs: 80 / CC1/2: 0.226

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassification
PHENIX1.17.1_3660refinement
PHENIX1.17.1_3660refinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing
PDB_EXTRACT3.27data extraction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3ENP, 4WW5

3enp

4ww5


Resolution: 2.05→97.17 Å / SU ML: 0.2782 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 41.485
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2754 1366 4.85 %
Rwork0.2207 26807 -
obs0.2233 28173 44.86 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 52.16 Å2
Refinement stepCycle: LAST / Resolution: 2.05→97.17 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6267 0 0 48 6315
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01036362
X-RAY DIFFRACTIONf_angle_d1.4768618
X-RAY DIFFRACTIONf_chiral_restr0.07571026
X-RAY DIFFRACTIONf_plane_restr0.00861105
X-RAY DIFFRACTIONf_dihedral_angle_d13.5053920
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.05-2.120.226640.584680X-RAY DIFFRACTION1.34
2.12-2.20.3524100.3904265X-RAY DIFFRACTION4.44
2.2-2.30.4325270.3575496X-RAY DIFFRACTION8.43
2.3-2.430.3778410.3571851X-RAY DIFFRACTION14.22
2.43-2.580.4452630.3581364X-RAY DIFFRACTION22.92
2.58-2.780.39951310.33962141X-RAY DIFFRACTION36.16
2.78-3.060.33142320.31394095X-RAY DIFFRACTION68.77
3.06-3.50.32992660.26835815X-RAY DIFFRACTION97.11
3.5-4.410.26663190.19455777X-RAY DIFFRACTION96.38
4.41-97.170.21772730.17395923X-RAY DIFFRACTION96.54
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)
11.44712707807-0.3550132736891.275389431461.13570803082-0.843485034273.04207538570.6098320203260.411239411207-0.0631116493136-0.249349807230.261098837655-0.111069198407-0.7077169415380.3047015039490.9171285018390.349453993753-0.06659255415920.1868841961810.927931572054-0.1188476803090.60484273595731.57017217-1.656212665943.1863545962
21.78633833220.162370744290.507876723143.035488776890.08175605731541.51024969195-0.08487424098080.466108232037-0.241740520222-0.5125396051330.139691788223-0.8674449268840.1925372997821.06433106299-0.03121973875550.304414747535-0.0133200800876-0.08559980207030.5549490975520.018403693140.50459301362322.2040278716-9.4626416251636.5063732494
34.88556658661-1.855231935731.445721378812.422447958140.8186949366081.53241334214-0.028080231740.8899121242750.796124368309-0.6297707604820.179072090231-0.470022495281-0.3186634367070.4987197312580.5555022493040.301988269393-0.210702054242-0.05124596713120.279989505284-0.1286016921660.37780014818515.24810727142.7915007773232.9596843468
40.173577182089-0.1633582207060.2151035601710.154703735768-0.08357843840531.337882883050.147200249547-0.2835393115590.1765409302440.0417396890749-0.1582349283620.0685936511913-0.0006580859878620.265375960201-0.02352751805010.201575333505-0.09959969765460.01018001271820.252061462177-0.01373792924840.27667693589812.5052675114-6.1389906164540.8279323893
56.019255062721.023429340290.2880007020390.799175985640.3449710427052.82365949344-0.2356304220390.850529385298-0.899547421622-0.588376690403-0.209045522858-0.745701418221.40151875930.547547028744-0.2005249859590.8862086441230.00339132409056-0.1523176237470.3125400036270.04564000298150.5493690201472.9631151318-26.396248140525.4846283715
62.050694902310.903965777893-0.308168784160.431257640558-0.3823174187131.768932163480.0274900488082-0.273604519753-0.2591079778120.229243172536-0.1500953056820.709495288182-0.0427043623555-0.458875714594-1.24469398558-0.130161456578-0.537233264540.18862783516-0.1164063232610.08480744833150.29235998692-0.462674413701-11.987384631930.8003070732
70.648866509133-0.0805808855044-0.3095596454421.841697648490.2360530600840.2534150026-0.04239535042530.0312088874760.330550041943-0.4439854909780.05746994591760.169274922716-0.3193542623580.07806866737111.28046191340.433474144252-0.115867922639-0.1148815283550.0364457478572-0.1885873397860.2045588745336.824156357130.31224229550527.9338231933
80.503761770018-0.257013618648-0.03153998428771.78039857858-0.5464494176311.096643629020.2548831994240.255259858953-0.29387928221-0.5015417477250.01713233118930.9407465708140.336603265132-0.5015669623310.2602571111140.2980248904850.00466431186655-0.05171699536320.172086944777-0.05214229676550.377270012986-1.12025205827-10.937231703819.537752564
90.30026552373-0.0660069207878-0.06301504921921.535103261080.7279209255420.8434112078760.288743268892-0.297934323121.12464894402-0.4531806255480.2477032108750.290936460095-0.698577384902-0.344983987618-0.1825597797880.5690428393940.208305363142-0.01621704828050.444554317201-0.04093630592070.661056971031-4.26407404891-1.1044052566315.2185827388
100.008785357218220.121079196047-0.02085711206883.03362816552-0.4964728468160.07935161556040.615661500092-0.156884772288-0.2829137422551.164009607430.3237631549520.1776437732950.309321922813-0.3627953721430.3693430105220.6630428008150.0369216458164-0.1564443417110.641480058291-0.0169813878470.59531770087622.629881885-6.0498876345260.2446298254
110.308556917113-0.1082565921630.305212271940.296731952190.01636766841410.4021239993360.263935866719-0.2417289050020.5355766153730.879236393948-0.252520990285-0.2173793070710.121492627345-0.1462656715290.00175367849860.640321566059-0.2898151029430.07717759468440.616113582935-0.03481346873780.6109994130515.49656506827.1129204542970.0482170041
121.99417787701-1.21764873386-0.9012068314411.841995404430.03067066128610.6511004050360.0432586873437-0.5781071683650.125003718177-0.0341511734315-0.189523910141-0.384242666995-0.07716548878530.4330059291550.1708217483290.356576085819-0.2498183966740.02876909878180.5166838223160.07888472773090.19145698150612.39957297695.5798727380564.2636087722
130.3930481912560.459620482977-0.1603467854431.21623912681-0.2740194515350.920773969018-0.1429722917660.331750326138-0.0656247643535-0.1686846649630.133745955389-0.515557077865-0.3893884392920.566544568504-0.2891348171690.0346251193267-0.3564088052220.00230579837380.277668725976-0.05697196483510.24544843275819.57566134291.8932361931553.1717568353
141.178832078951.10497567779-0.2058197535841.35082045331-0.2991030157160.07038976655510.05774914589810.2964682926011.151452050080.169218875386-0.2117282517120.194127864768-0.6980849040661.02440836592-0.08971959367230.385011332041-0.171518328002-0.007068730323050.5212984659040.01836383051590.41433919962219.833152511410.973931408553.8672395595
152.45201441350.129643163019-0.2166178825271.864920801561.244553960443.331940291450.520470056251-0.18161039921.50878186943-1.14172842538-0.2487137537140.772811730822-0.848687334381-0.50581927566-0.004636839763730.615100457178-0.0893055219660.1321636331440.332589709071-0.06080890847930.4810907297139.2675001252213.984699756853.5758846066
162.255456861980.09407026255080.02646998557130.792655188241-0.2522918695611.078374161470.57752140443-1.258619703960.3761318783890.306555138339-0.01947868922130.0604113155233-0.278992060235-0.00574538324670.07760130947880.56660158783-0.3004569861940.02454184760520.591384006111-0.03509642837150.33736929720914.28215445186.1797621789566.0978488705
170.221293173958-0.06320209188040.07243525380460.0533284661058-0.06153775065230.06754428620320.225063540699-0.513090075469-0.133843641710.529019839384-0.0411472606699-0.635148837090.1345919990440.3771533988450.006955428412020.700831027615-0.15559055423-0.1133004566140.7064234845-0.008795723260620.62327338463625.36401721623.2071001697272.957520059
182.67001481478-0.389530273510.8840272251632.089622474960.177260913790.338118778707-0.0606168208181-0.833925468424-0.3409144318761.27704704274-0.21181725057-0.1294090359930.161144585776-0.651120182707-0.09728260680650.898978000157-0.3611592929590.0462438307610.7599560740540.07416920702580.4388374883367.59737144742-1.6909401537571.038521296
191.47523593975-0.3622851584890.8190000595881.96468772202-1.378934857821.77275374334-0.155355608758-0.6778826266870.4821689151250.780704206645-0.1278507857010.124969332077-0.405625261453-0.103757059998-0.3338458427110.369687117139-0.1082036580290.1000807073970.559415579404-0.0410906859320.471934766948-1.119385827654.2105414529356.3605750585
201.607389678590.8613503299150.8456423860850.581432263490.203473979462.51495907488-0.1930346301620.7524735441520.135656888952-0.134965042540.3653697233210.316444212743-0.0974704917127-0.5935557553480.4421180478220.228121257728-0.196729396989-0.04542931291150.488973848966-0.04432970098820.2966508705923.950248591520.46661464684746.8441093423
210.871380054395-0.3576300927840.195295961931.514228721.385777698772.17200782687-0.0459700787241-0.22006389173-0.4622333469220.4627049772370.2505397462430.1624286161631.56255218036-0.515339999260.1837541538881.11630140752-0.149737517542-0.04659062591260.354981799690.08916243978640.61490597097-23.2811777794-20.647198589493.0275815263
220.5264195014170.2336892054740.3762619476930.895450699106-0.3953822663121.661731334020.36367595556-0.08922875340350.0562351493571-0.220499105422-0.04016302785670.208015479248-0.00945334259696-0.2116108821460.5839300300830.397180872511-0.144005373236-0.01043199833740.3867112377450.1571277291980.414811539476-22.062138701-6.0568312794394.4517303714
231.691979101730.9474567366030.3723395188242.675224246391.338098235035.09501406062-0.0278766100083-0.166703241175-0.2023504474870.1219870397430.264182024164-0.6455660124180.8068911084081.620427197690.3454138751330.5084069945080.06291044727340.02070073757920.6319038832770.1456693422490.442166991862-5.73738119575-8.5321796480499.6917609565
240.823046149916-0.727928746739-0.7125236374010.7747322039520.2269902543632.421366574070.0275593904323-0.5506050219080.2248210593950.3517852766520.361400131795-0.271976890081-0.4066667075531.512060971670.2054741551620.654222895522-0.163552472612-0.009699822669461.001873145870.06941141480890.664759751427-1.772367483312.49646716164110.221350222
253.305518700040.06250094386761.896262544780.4062283984940.5899793587521.845752515080.7223108071740.917577224148-0.912393051754-0.494846621165-0.203147565176-0.4154003626040.204921915590.7724051029930.1493854538261.183217075060.11043014217-0.1021708493770.602648111103-0.1209008209820.703757258868-18.9092406148-24.854352825471.8937702373
261.504378310530.4484925324330.3733371774090.3317572873740.2141530262861.01831522393-0.197268047231.24783936595-0.213877627969-0.6570069349580.8136425019790.1698517030980.4002728041090.8591903502790.427900801140.810807037164-0.06568252920090.08643015838651.01183661621-0.1440905272520.637248991472-16.7826965065-17.610828074859.4030869838
270.142200964876-0.06517484137850.01948743039760.3575693601150.05153249834050.1905536988980.4414573597170.569159231824-0.154239409919-0.403808719552-0.2120442550390.2220787309-0.1471322293620.5452005208750.00200295481540.762559125840.04230157648530.06295247436980.8132682072310.005457632366770.559695787271-20.7614582709-10.235394267660.052874846
283.70941664956-0.04751261586132.872659102420.522920003113-0.96647410813.896176379750.2313839897030.357465370832-0.5631002720840.00296875957519-0.2381652859730.127833269550.89656371350.1323302132020.2894472699530.624630390753-0.08431456218040.002912312131210.2402288004190.02810321639190.359635122196-22.3703323514-15.122312910775.7554805552
290.5599609369430.398422920517-0.2929396871742.287347988080.186243505960.229136316333-0.133680832810.1310817748760.123550429081-0.005674127151290.0005276094851880.273337830880.305570635633-0.117211966915-1.370838861990.307023165209-0.2803146597330.006461402536320.3634159251120.3630590215830.395494998866-28.1134760964-8.9059300909372.2669287387
303.7424051766-0.4012041559914.178856180162.355845092881.094732736185.7135143135-0.03376688132380.8372854238780.0650874295065-0.5518743130490.0530376719221-0.31403529325-0.3303260728141.109374172840.8154537423110.399177847142-0.1482864703410.08495704928970.5377635855060.1916273512030.565619995651-19.0704572804-2.5724737500765.1873656951
310.211455895657-0.00251300996931-0.1700933146140.111682404995-0.001678058378920.154879914922-0.742897811340.499004449567-0.790117297822-0.4917562176210.134129979496-0.07616699693460.371355106556-0.1914918684610.000225098851030.827188997472-0.0368661471970.1317790236270.755157093593-0.06454816160010.685803178491-24.7406137312-21.749818357264.0604207181
320.168518976341-0.03199281042710.2131147940413.52757667059-0.9738472792630.518968030056-0.4345174862420.793960868709-0.913739830637-1.006854292570.391509150705-0.1974397136830.6338841871440.4451137070110.1211112045960.7951774255020.1396828922050.1109679189871.56231232073-0.1532974374840.734548634886-15.3876035864-19.665545654855.2784156768
330.694703395264-0.180298803937-0.06179822175330.26234065897-0.3494787933750.6277680106320.1535424696691.286103966990.253512315686-0.326590696574-0.530429575786-0.21090547151-0.1481139766670.321752626024-0.1889378241410.419718740086-0.1275186583510.1648786073071.249849764570.1471300470770.931954820402-6.12547944079-4.796511910167.9397379249
340.0893091085198-0.1013574574140.04668257129680.4277580656230.02922465901060.2762349339610.06453292127580.006059398390420.1973771224440.629086184247-0.0840525764112-0.000868208769558-0.437950820821.27662659658-0.006621491062570.7278527362910.04025870591230.06536432535480.8913929744130.1653819831790.86022755649-3.30273544044-2.3860830018881.3075749481
351.90543277222-1.97806338211-1.511031392322.687599455393.658283206018.166842665490.110171863638-0.03223577455620.8959624667480.4188220672050.188280809791-0.2787597114820.03808895636171.221149713650.7579927690060.266201947091-0.02960369904640.00700981314530.351283475740.1706680351630.546758709005-14.654436891-6.4007676688980.5359471719
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 18 through 34 )
2X-RAY DIFFRACTION2chain 'A' and (resid 35 through 69 )
3X-RAY DIFFRACTION3chain 'A' and (resid 70 through 92 )
4X-RAY DIFFRACTION4chain 'A' and (resid 93 through 121 )
5X-RAY DIFFRACTION5chain 'A' and (resid 122 through 135 )
6X-RAY DIFFRACTION6chain 'A' and (resid 136 through 181 )
7X-RAY DIFFRACTION7chain 'A' and (resid 182 through 192 )
8X-RAY DIFFRACTION8chain 'A' and (resid 193 through 228 )
9X-RAY DIFFRACTION9chain 'A' and (resid 229 through 249 )
10X-RAY DIFFRACTION10chain 'B' and (resid 0 through 12 )
11X-RAY DIFFRACTION11chain 'B' and (resid 13 through 35 )
12X-RAY DIFFRACTION12chain 'B' and (resid 36 through 50 )
13X-RAY DIFFRACTION13chain 'B' and (resid 51 through 66 )
14X-RAY DIFFRACTION14chain 'B' and (resid 67 through 83 )
15X-RAY DIFFRACTION15chain 'B' and (resid 84 through 95 )
16X-RAY DIFFRACTION16chain 'B' and (resid 96 through 112 )
17X-RAY DIFFRACTION17chain 'B' and (resid 113 through 125 )
18X-RAY DIFFRACTION18chain 'B' and (resid 126 through 141 )
19X-RAY DIFFRACTION19chain 'B' and (resid 142 through 149 )
20X-RAY DIFFRACTION20chain 'B' and (resid 150 through 175 )
21X-RAY DIFFRACTION21chain 'C' and (resid 18 through 69 )
22X-RAY DIFFRACTION22chain 'C' and (resid 70 through 92 )
23X-RAY DIFFRACTION23chain 'C' and (resid 93 through 210 )
24X-RAY DIFFRACTION24chain 'C' and (resid 211 through 249 )
25X-RAY DIFFRACTION25chain 'D' and (resid 0 through 12 )
26X-RAY DIFFRACTION26chain 'D' and (resid 13 through 25 )
27X-RAY DIFFRACTION27chain 'D' and (resid 26 through 50 )
28X-RAY DIFFRACTION28chain 'D' and (resid 51 through 66 )
29X-RAY DIFFRACTION29chain 'D' and (resid 67 through 83 )
30X-RAY DIFFRACTION30chain 'D' and (resid 84 through 104 )
31X-RAY DIFFRACTION31chain 'D' and (resid 105 through 118 )
32X-RAY DIFFRACTION32chain 'D' and (resid 119 through 136 )
33X-RAY DIFFRACTION33chain 'D' and (resid 137 through 149 )
34X-RAY DIFFRACTION34chain 'D' and (resid 150 through 160 )
35X-RAY DIFFRACTION35chain 'D' and (resid 161 through 175 )

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