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- PDB-7nx3: Crystal structure of ALK in complex with Fab324 -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 7nx3
TitleCrystal structure of ALK in complex with Fab324
Components
  • ALK tyrosine kinase receptor
  • Fab324 HeavyChain
  • Fab324 Light Chain
KeywordsPROTEIN BINDING / Cell Surface Receptor Cytokine binding
Function / homology
Function and homology information


ASP-3026-resistant ALK mutants / NVP-TAE684-resistant ALK mutants / alectinib-resistant ALK mutants / brigatinib-resistant ALK mutants / ceritinib-resistant ALK mutants / crizotinib-resistant ALK mutants / lorlatinib-resistant ALK mutants / MDK and PTN in ALK signaling / receptor signaling protein tyrosine kinase activator activity / regulation of dopamine receptor signaling pathway ...ASP-3026-resistant ALK mutants / NVP-TAE684-resistant ALK mutants / alectinib-resistant ALK mutants / brigatinib-resistant ALK mutants / ceritinib-resistant ALK mutants / crizotinib-resistant ALK mutants / lorlatinib-resistant ALK mutants / MDK and PTN in ALK signaling / receptor signaling protein tyrosine kinase activator activity / regulation of dopamine receptor signaling pathway / response to environmental enrichment / ALK mutants bind TKIs / swimming behavior / positive regulation of dendrite development / regulation of neuron differentiation / adult behavior / Signaling by ALK / neuron development / negative regulation of lipid catabolic process / energy homeostasis / peptidyl-tyrosine autophosphorylation / cell surface receptor protein tyrosine kinase signaling pathway / transmembrane receptor protein tyrosine kinase activity / hippocampus development / receptor protein-tyrosine kinase / Signaling by ALK fusions and activated point mutants / positive regulation of NF-kappaB transcription factor activity / heparin binding / regulation of cell population proliferation / regulation of apoptotic process / protein tyrosine kinase activity / protein autophosphorylation / receptor complex / phosphorylation / signal transduction / protein-containing complex / extracellular exosome / ATP binding / identical protein binding / plasma membrane
Similarity search - Function
Glycine rich protein / MAM domain, meprin/A5/mu / MAM domain / MAM domain profile. / Low-density lipoprotein receptor domain class A / Low-density lipoprotein (LDL) receptor class A repeat / LDL receptor-like superfamily / Tyrosine-protein kinase, receptor class II, conserved site / Receptor tyrosine kinase class II signature. / Tyrosine-protein kinase, catalytic domain ...Glycine rich protein / MAM domain, meprin/A5/mu / MAM domain / MAM domain profile. / Low-density lipoprotein receptor domain class A / Low-density lipoprotein (LDL) receptor class A repeat / LDL receptor-like superfamily / Tyrosine-protein kinase, receptor class II, conserved site / Receptor tyrosine kinase class II signature. / Tyrosine-protein kinase, catalytic domain / Tyrosine kinase, catalytic domain / Tyrosine protein kinases specific active-site signature. / Concanavalin A-like lectin/glucanase domain superfamily / Tyrosine-protein kinase, active site / Protein tyrosine and serine/threonine kinase / Serine-threonine/tyrosine-protein kinase, catalytic domain / Protein kinase, ATP binding site / Protein kinases ATP-binding region signature. / Protein kinase domain profile. / Protein kinase domain / Protein kinase-like domain superfamily
Similarity search - Domain/homology
ALK tyrosine kinase receptor
Similarity search - Component
Biological speciesHomo sapiens (human)
Mus musculus (house mouse)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.81 Å
AuthorsDe Munck, S. / Savvides, S.N.
Funding support Belgium, 1items
OrganizationGrant numberCountry
Research Foundation - Flanders (FWO) Belgium
CitationJournal: Nature / Year: 2021
Title: Structural basis of cytokine-mediated activation of ALK family receptors.
Authors: De Munck, S. / Provost, M. / Kurikawa, M. / Omori, I. / Mukohyama, J. / Felix, J. / Bloch, Y. / Abdel-Wahab, O. / Bazan, J.F. / Yoshimi, A. / Savvides, S.N.
History
DepositionMar 17, 2021Deposition site: PDBE / Processing site: PDBE
Revision 1.0Oct 27, 2021Provider: repository / Type: Initial release
Revision 1.1Nov 3, 2021Group: Derived calculations
Category: pdbx_struct_assembly / pdbx_struct_assembly_gen / pdbx_struct_assembly_prop
Item: _pdbx_struct_assembly.details / _pdbx_struct_assembly.method_details / _pdbx_struct_assembly_gen.asym_id_list
Revision 1.2Dec 15, 2021Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID
Revision 1.3Jan 31, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id ..._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: ALK tyrosine kinase receptor
B: Fab324 HeavyChain
C: Fab324 Light Chain
D: Fab324 Light Chain
E: Fab324 HeavyChain
F: ALK tyrosine kinase receptor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)179,63814
Polymers177,8696
Non-polymers1,7708
Water00
1
A: ALK tyrosine kinase receptor
D: Fab324 Light Chain
E: Fab324 HeavyChain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)89,8197
Polymers88,9343
Non-polymers8854
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Fab324 HeavyChain
C: Fab324 Light Chain
F: ALK tyrosine kinase receptor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)89,8197
Polymers88,9343
Non-polymers8854
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)109.700, 137.470, 144.260
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
12
22
13
23

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
111PROPROILEILE(chain 'A' and (resid 679 through 795 or (resid 796...AA679 - 79532 - 148
121TRPTRPASNASN(chain 'A' and (resid 679 through 795 or (resid 796...AA814 - 986167 - 339
231PROPROILEILE(chain 'F' and (resid 679 through 796 or resid 814 through 986))FF679 - 79532 - 148
241TRPTRPASNASN(chain 'F' and (resid 679 through 796 or resid 814 through 986))FF814 - 986167 - 339
152VALVALPROPRO(chain 'B' and (resid 2 through 130 or (resid 131...BB2 - 1312 - 131
162SERSERPROPRO(chain 'B' and (resid 2 through 130 or (resid 131...BB142 - 220142 - 220
272VALVALPROPRO(chain 'E' and (resid 2 through 131 or resid 142 through 220))EE2 - 1312 - 131
282SERSERPROPRO(chain 'E' and (resid 2 through 131 or resid 142 through 220))EE142 - 220142 - 220
193ASPASPARGARG(chain 'C' and (resid 1 through 159 or resid 161 through 191 or resid 193 through 215))CC1 - 1591 - 159
1103ASNASNGLUGLU(chain 'C' and (resid 1 through 159 or resid 161 through 191 or resid 193 through 215))CC161 - 191161 - 191
1113HISHISARGARG(chain 'C' and (resid 1 through 159 or resid 161 through 191 or resid 193 through 215))CC193 - 215193 - 215
2123ASPASPARGARG(chain 'D' and (resid 1 through 159 or resid 161 through 191 or resid 193 through 215))DD1 - 1591 - 159
2133ASNASNGLUGLU(chain 'D' and (resid 1 through 159 or resid 161 through 191 or resid 193 through 215))DD161 - 191161 - 191
2143HISHISARGARG(chain 'D' and (resid 1 through 159 or resid 161 through 191 or resid 193 through 215))DD193 - 215193 - 215

NCS ensembles :
ID
1
2
3

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Components

#1: Protein ALK tyrosine kinase receptor / Anaplastic lymphoma kinase


Mass: 40499.660 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: ALK / Production host: Homo sapiens (human)
References: UniProt: Q9UM73, receptor protein-tyrosine kinase
#2: Antibody Fab324 HeavyChain


Mass: 24516.209 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Production host: Homo sapiens (human)
#3: Antibody Fab324 Light Chain


Mass: 23918.410 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Production host: Homo sapiens (human)
#4: Sugar
ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C8H15NO6
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0
Has ligand of interestN

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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: 3.59 Å3/Da / Density % sol: 65.72 %
Crystal growTemperature: 287 K / Method: vapor diffusion, sitting drop
Details: 40mMPolyamines, 0.1M Gly-Gly/AMPD pH8.5 12.5% w/v PEG4000 20% w/v 1,2,6-Hexanetriol

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID23-2 / Wavelength: 0.8731 Å
DetectorType: DECTRIS PILATUS3 2M / Detector: PIXEL / Date: Mar 1, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.8731 Å / Relative weight: 1
ReflectionResolution: 2.8→48.04 Å / Num. obs: 55385 / % possible obs: 99 % / Redundancy: 5.8 % / Biso Wilson estimate: 39.47 Å2 / Rrim(I) all: 0.25 / Net I/σ(I): 7.7
Reflection shellResolution: 2.81→2.96 Å / Num. unique obs: 6835 / Rrim(I) all: 1.2

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Processing

Software
NameVersionClassification
PHENIX1.17.1_3660refinement
PHENIX1.17.1_3660refinement
XDSdata reduction
XDSdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5NUZ

5nuz


Resolution: 2.81→48.04 Å / SU ML: 0.3401 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 29.1544
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2664 2009 3.76 %
Rwork0.2276 51376 -
obs0.2291 53385 99.03 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 49.13 Å2
Refinement stepCycle: LAST / Resolution: 2.81→48.04 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms10652 0 112 0 10764
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.004811023
X-RAY DIFFRACTIONf_angle_d0.866814965
X-RAY DIFFRACTIONf_chiral_restr0.07191620
X-RAY DIFFRACTIONf_plane_restr0.00651946
X-RAY DIFFRACTIONf_dihedral_angle_d14.38083892
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.81-2.880.34971220.30983222X-RAY DIFFRACTION87.68
2.88-2.960.30411480.2913613X-RAY DIFFRACTION100
2.96-3.040.29871470.27913657X-RAY DIFFRACTION99.97
3.04-3.140.29311350.26783668X-RAY DIFFRACTION99.74
3.14-3.250.30671510.25883647X-RAY DIFFRACTION99.82
3.25-3.380.30321440.25543661X-RAY DIFFRACTION99.92
3.38-3.540.26811410.24693681X-RAY DIFFRACTION99.92
3.54-3.720.24591330.23153686X-RAY DIFFRACTION99.87
3.72-3.960.27611460.21853685X-RAY DIFFRACTION99.97
3.96-4.260.24581440.20263704X-RAY DIFFRACTION99.95
4.26-4.690.20091480.16543718X-RAY DIFFRACTION100
4.69-5.370.23921460.18223745X-RAY DIFFRACTION99.97
5.37-6.760.25151500.22223773X-RAY DIFFRACTION99.95
6.76-48.040.29251540.23843916X-RAY DIFFRACTION99.56
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)
12.10325414996-0.4791794428390.2985084685232.78043086792-0.1906893403112.71049507808-0.1860322127-0.3818031602320.01514202134690.399317975459-0.0184334680731-0.03549414465690.0318270721325-0.0564138605970.1199523245170.1924092169540.0231108463452-0.03858189148740.2496092937360.007367066268340.159277892165-4.8173240944-20.2181220959-21.2662007807
24.88818021348-1.993926882942.319588243642.93716062648-2.123386650673.757614341770.176510470281-0.05056973468280.281192242224-0.2171824143980.132039615398-0.005511048304010.08493404326310.0153780411248-0.1603291528490.193838889224-0.015248907160.02651714533850.124086923606-0.09551534645010.294593281851-8.6890362935-9.47787539994-31.8865702707
37.071019995091.09689358159-1.780672827678.326272502390.4794537196755.219929302460.104987507341-0.6951119486060.02892910142650.3150586084080.41792023082-0.8660604466020.126688538390.760427756532-0.4375368048120.3113099246060.134989595278-0.001651469406570.278941192696-0.06732908204160.3424902367188.80306972851-22.5299735487-23.6105966968
43.20105733687-3.844596943723.002625385164.62509705575-3.616369231112.822734408860.2390409130960.0206358026679-0.326592979443-1.105402144090.001911331066430.2272942980510.5596129520350.0811706223657-0.3243469466250.527042608594-0.0385656008450.01132655995540.246657412481-0.002464269601560.275529344226-6.44448449199-16.4634732656-44.9350596087
51.05493321584-0.9938799979760.7339753164323.35453685458-0.3695315582220.9073650601280.04399754928060.1117958436980.33041270854-0.147767136938-0.201876931826-0.5022705922290.01962343876090.2144321512090.1227218732070.22117185753-0.01562191186640.06927105144560.2386725276550.05361550804960.3647645981952.87093884694-10.2049334389-37.0858991997
62.867973093430.620485654816-0.8930155356221.605508825731.923653935263.32651258554-0.165844375612-0.0307960794274-0.246859050570.000467893092673-0.2065712573980.4447254656650.3590788221920.175872563070.2413457632040.1870148711380.04552413918270.003638309970670.2442395541480.03473216730050.200279403234-6.18512183458-29.3819666018-27.7676727768
71.455530223321.125622137230.3695045279593.69006455091-1.87400045161.7495970899-0.0887080212388-0.345152005228-0.1177393450310.663259898247-0.232043647070.212019198125-0.00848052833166-0.4470229911670.1691762699290.3745976679980.03862469612960.2335739680260.4686893897950.06336133728860.300268608956-54.2416705195-12.3228067807-16.475616813
81.72364705632-0.404240724710.4433901511182.33592206098-0.7447238294322.56089304135-0.0359463220244-0.22858595953-0.1316285185820.130759260979-0.01758789156160.3284891903070.0175080668237-0.02961086594620.01270837271640.173567003511-0.004534313483810.06384028339450.184248763132-0.04024179571260.297573100283-50.8482174097-11.9859243529-27.000162763
92.14272805889-0.5973231312140.266421764410.999617797611-0.3489222924482.25006006807-0.440652383995-1.07078761432-0.4039526823520.220546707780.4377359896620.1128168327250.564664498320.4382806177250.08248155086340.6783042464910.3269296302390.2721472645961.149163081250.4340587885770.416188977867-36.694745185-29.45748700540.700016851592
104.50748840451-0.557010022604-0.3775224045161.64111628014-1.025058473075.92716142175-0.410081772517-0.715259945261-0.9205919062230.1915487687780.0153937714-0.205346597920.5413311874180.7646157559420.2775914054490.6366282555610.210683376890.3663388233430.8993628933990.3952758140150.589209725317-37.1208965637-32.8884241248-3.63762727305
110.903463047057-0.6147159794930.7024566420442.50415252777-0.5558533847820.541967551721-0.323006193487-1.39496507522-0.1536761319091.188428710410.0222079457623-0.3029728054970.5424495161620.6944629163240.1557558676691.056669566780.3531091487990.0812326103851.833371574090.1764523379740.496903150679-30.9218247101-29.17636890089.50240765872
120.4176836925630.03959980199290.04465195962731.44096600985-1.053990942961.12147461002-0.024083894079-0.128241766325-0.0941746157337-0.000147756527423-0.270992116889-0.3500228804150.5326201638870.8859371226410.2830523987670.995616090960.2646328308430.3876147238481.525232951510.4632707548950.685181733551-36.6490586593-30.991580265510.8605594891
134.043301135270.2375123453372.581818902280.6734897852460.4581204059181.83402850696-0.1013916734980.060744170295-0.614413579080.1353860036520.339631476166-0.09168378499230.06659938142820.0287720822538-0.2517247998040.209595036407-0.02281308958610.04195467641510.1645481672430.003215464534970.338011948578-26.5625998614-20.3872159529-30.5285092773
144.99253772958-0.04777310332583.264125977911.384108091830.5731698755044.165983773330.208899063590.527170989395-0.531736700854-0.234899495726-0.2413406493380.16210977592-0.0154359909068-0.0678189857563-0.07119257924640.2214727034220.03810759286440.0931506750010.324235442548-0.04026596206810.130342912677-34.2055085309-13.7895824619-42.2324807257
153.427004870950.5852060184720.6449848993612.47205592761-0.5784440110341.21207561043-0.118092134392-0.2228041782660.21521447231-0.02799049715710.327657834799-0.117709478603-0.07177009244760.115661021387-0.06008421359940.235473164682-0.0009853453500170.06755383869720.17304034837-0.02702746383240.212666525695-30.5269216326-9.64570599118-30.5556432673
163.48061015737-0.9410414586730.5200475545292.14242652938-0.769708635260.893901660272-0.318976114942-0.47132940135-0.3435730979770.2359558312170.3368368744960.214734001933-0.02644905728-0.169316231174-0.04202183216990.3143760805780.01837415586420.08463229015980.1747521573110.01507368685040.231729081121-29.2859355388-17.9931174978-26.1520788617
170.210859545424-0.0143765565242-0.03689006234210.3434238252310.3644205424970.56245151318-0.178621030563-0.369809351711-0.5656507381820.2520153828620.04143443471990.2382817536760.2766158327-0.126362965760.5350834921460.7404727265270.2553252709860.5478807701641.114131844860.7150166102341.44255397519-32.1170539724-42.53793833252.95959529015
180.310244763430.3991458417860.2702294379930.916281735830.3165793650410.24123761866-0.480756355323-0.255735870671-1.035620311250.1409330592680.03397640064830.1750422655620.502053527888-0.391199474674-0.07973603809140.7444249862410.1513714663030.6408229029270.7032749900550.3752380348411.15775986533-27.7861456641-39.7522185031-9.52019075674
190.109239945961-0.3214564457890.1900025205031.39845667778-0.4412321291250.338456995664-0.443418246759-0.125166994557-1.28722500358-0.2734948396280.2573628946930.1251610146120.743740963963-0.322380798764-0.06356328637030.900834226752-0.06093458721410.4818319872570.6557944224890.3759613615651.39836597267-33.9587311372-45.7087542334-12.2569046381
205.03633190982-1.05918381018-3.418717986317.33305253445-0.7644921990093.48422420559-0.418039514675-0.9206214234850.06055404010021.04532157447-0.336723704843-0.0427414715283-0.01182656716490.3766314620760.6921750472760.4614798777040.2070852990780.0270087611560.805978377266-0.05109328882070.380106957042-23.5280897734-24.5690444747-11.1603656771
210.9117303133160.03497973730941.445589314955.53966969004-1.332175039212.623877451410.0988643759483-0.00943124762298-0.7654424202130.2506322221820.1077780746250.3138175576710.152011452221-0.457049807425-0.1319089382970.807475417310.2556414445290.4550810343960.9534893935090.6719066153661.74209604834-33.5320640063-49.208773239-4.04365549991
220.6158095779491.38975311847-0.4013563077465.59372824535-3.314677695722.62121815164-0.0974052221098-0.63200122285-0.570896154743-0.02965001445930.2260747630810.4948463923170.241971578401-0.187104774786-0.1380959139160.9407412247860.387349969640.4094337078510.8300651181240.6354885753871.31617993814-20.9560252829-46.0726861088-7.37307643873
232.8595096801-0.582339022495-0.9817564279080.7971499248570.07949143558410.8219800926-0.149865367240.3399009485230.448364126130.01165328879020.1145366694960.01297891275870.0863889483113-0.154728318753-0.05528947422940.30547488506-0.0699255665651-0.03731775600750.1537878219370.02673840696840.289625344721-24.232717917525.5692225696-37.1303110888
242.72780321594-0.850300008049-0.3811516347681.194216854420.4433951173850.832456852389-0.109408733149-0.1617726341610.226593071991-0.02751287175240.151302168859-0.0416750991572-0.09487683984550.000138420281129-0.04152942348070.176063261157-0.00642283436393-0.05262158568310.121513927144-0.009002783337270.262163212017-24.786647214122.4824760862-29.0179319828
251.977638099391.452261641461.502119994941.770282539670.8999267423191.57382635269-0.569029141622-0.5488479394251.023933075680.4453620045210.47976752122-0.579757963352-0.5059649596550.3829593591540.3683374508640.6261020679510.222169048899-0.6639555138380.744941037849-0.6237479656620.918697381043-24.556859228448.8844074255-5.82507417456
260.445025369933-0.694481061156-0.4439255932881.085440429020.6936803487950.4427373108530.1537285794160.01339614053151.15157485602-0.692332646523-0.26899645726-1.3180094391-0.6797415343280.02950293381860.1688448353181.335846939920.305584343729-0.6869907323560.627943777793-0.1593419901471.75877668728-24.652704512459.5826341841-13.4357827473
273.945471196165.77947732131.267677781848.949623862933.231568767354.66738286186-0.613961730826-0.1451048041090.8503169870640.1136852816050.748590797441-0.0528671675846-0.6528912372120.0303073003118-0.3246797782380.402665795490.0759915039847-0.2251974936760.375651265498-0.05997923866720.637199562878-26.142185952740.5647152225-13.2934407873
280.1364930275250.2534120229180.005157389712120.6192372311780.1826915513270.192245813519-0.218263225817-0.4067030858650.8585181151260.01090004975320.0563527430606-0.127464543931-0.3597724574270.001733780225720.1242965563381.179306927090.188407384936-0.7047126306150.500358120978-0.5459836601281.60467234253-25.417334116957.4567507923-7.41960495675
291.52952004156-0.1185421992150.3158652906861.05687697070.8109841559612.20026271723-0.0829637167224-0.379361431442-0.00454304066310.0377153496080.14968515863-0.101307116858-0.14209622349-0.0769179431333-0.08520302514450.19417494010.0030772770163-0.05574420437560.2610675389050.009028283314870.288281259764-6.1758770248925.7173326792-19.5474481524
303.38312957896-0.0879745594323-1.538843175892.427843336240.4991476273081.4493010326-0.160218943354-1.35362703424-0.05258644024920.48808274115-0.01800498588290.0635354262106-0.732473701874-1.0332052126-0.07530077432580.481077200780.27268046965-0.07492101126071.28108655502-0.1616036379690.375262125555-20.656156786240.0415643622.2743191839
312.70533072294-0.794551298423-0.7627494234262.772122182811.197426752682.37735429391-0.0887377863596-0.1166323714440.09113687884280.105861345250.1138922219940.0115225012474-0.118975578741-0.260594115489-0.02070758990920.1533296074360.00597741876839-0.03857479891830.1579522904550.05349141358170.217263639669-50.651459231826.1145744027-25.164808237
323.92251582881-5.72049324356-3.139318030588.537738284034.721067838732.606474134510.5461950029340.4331812165140.231340243688-1.47897536592-0.313261532816-0.479076027322-0.8693816436720.0024104403871-0.2834100635450.533671132232-0.02151515424510.02748483576570.304435371187-0.03084023783370.260194963209-48.46564207524.5971418047-45.4287399145
331.57110642116-0.937718266622-0.4681248361153.07648496398-0.02461283408130.673653667698-0.06211631803150.242296426239-0.182814557114-0.2522955012050.006064383754130.3375545540820.0335561810226-0.1590305923330.0246144603620.230536420221-0.00453323744481-0.08361650333710.253355391472-0.008723462726470.291490944195-57.701037769418.5766856094-37.4151151734
342.33119080648-0.519869087152-0.03809555026042.21518132819-0.9847817050211.55889214393-0.0372620126621-0.3041401741650.5569352460030.09323111339980.0594029348003-0.41696564448-0.1523214339170.12495810955-0.1761060426720.156976431104-0.0161120354615-0.006877469842150.29133588129-0.06100057308280.281245570549-48.741829598738.0559768927-28.4282740271
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 678 through 765 )
2X-RAY DIFFRACTION2chain 'A' and (resid 766 through 824 )
3X-RAY DIFFRACTION3chain 'A' and (resid 825 through 841 )
4X-RAY DIFFRACTION4chain 'A' and (resid 842 through 861 )
5X-RAY DIFFRACTION5chain 'A' and (resid 862 through 965 )
6X-RAY DIFFRACTION6chain 'A' and (resid 966 through 986 )
7X-RAY DIFFRACTION7chain 'B' and (resid 2 through 25 )
8X-RAY DIFFRACTION8chain 'B' and (resid 26 through 119 )
9X-RAY DIFFRACTION9chain 'B' and (resid 120 through 176 )
10X-RAY DIFFRACTION10chain 'B' and (resid 177 through 192 )
11X-RAY DIFFRACTION11chain 'B' and (resid 193 through 210 )
12X-RAY DIFFRACTION12chain 'B' and (resid 211 through 220 )
13X-RAY DIFFRACTION13chain 'C' and (resid 1 through 18 )
14X-RAY DIFFRACTION14chain 'C' and (resid 19 through 36 )
15X-RAY DIFFRACTION15chain 'C' and (resid 37 through 79 )
16X-RAY DIFFRACTION16chain 'C' and (resid 80 through 117 )
17X-RAY DIFFRACTION17chain 'C' and (resid 118 through 130 )
18X-RAY DIFFRACTION18chain 'C' and (resid 131 through 154 )
19X-RAY DIFFRACTION19chain 'C' and (resid 155 through 167 )
20X-RAY DIFFRACTION20chain 'C' and (resid 168 through 178 )
21X-RAY DIFFRACTION21chain 'C' and (resid 179 through 201 )
22X-RAY DIFFRACTION22chain 'C' and (resid 202 through 216 )
23X-RAY DIFFRACTION23chain 'D' and (resid 1 through 36 )
24X-RAY DIFFRACTION24chain 'D' and (resid 37 through 117 )
25X-RAY DIFFRACTION25chain 'D' and (resid 118 through 148 )
26X-RAY DIFFRACTION26chain 'D' and (resid 149 through 159 )
27X-RAY DIFFRACTION27chain 'D' and (resid 160 through 178 )
28X-RAY DIFFRACTION28chain 'D' and (resid 179 through 216 )
29X-RAY DIFFRACTION29chain 'E' and (resid 2 through 165 )
30X-RAY DIFFRACTION30chain 'E' and (resid 166 through 220 )
31X-RAY DIFFRACTION31chain 'F' and (resid 678 through 841 )
32X-RAY DIFFRACTION32chain 'F' and (resid 842 through 861 )
33X-RAY DIFFRACTION33chain 'F' and (resid 862 through 965 )
34X-RAY DIFFRACTION34chain 'F' and (resid 966 through 986 )

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