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- PDB-4n78: The WAVE Regulatory Complex Links Diverse Receptors to the Actin ... -

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Basic information

Entry
Database: PDB / ID: 4n78
TitleThe WAVE Regulatory Complex Links Diverse Receptors to the Actin Cytoskeleton
Components
  • Abl interactor 2
  • Cytoplasmic FMR1-interacting protein 1
  • Nck-associated protein 1
  • Protein BRICK1
  • WIRS
  • Wiskott-Aldrich syndrome protein family member 1
KeywordsPROTEIN BINDING / actin dynamics
Function / homology
Function and homology information


actin-based cell projection / peripheral region of growth cone / SCAR complex / negative regulation of synaptic vesicle recycling / zonula adherens assembly / positive regulation of neurotrophin TRK receptor signaling pathway / lamellipodium morphogenesis / cell projection morphogenesis / positive regulation of Arp2/3 complex-mediated actin nucleation / Arp2/3 complex binding ...actin-based cell projection / peripheral region of growth cone / SCAR complex / negative regulation of synaptic vesicle recycling / zonula adherens assembly / positive regulation of neurotrophin TRK receptor signaling pathway / lamellipodium morphogenesis / cell projection morphogenesis / positive regulation of Arp2/3 complex-mediated actin nucleation / Arp2/3 complex binding / regulation of actin polymerization or depolymerization / central region of growth cone / modification of postsynaptic actin cytoskeleton / dendrite extension / regulation of translation at postsynapse, modulating synaptic transmission / lens fiber cell morphogenesis / filopodium tip / regulation of actin filament polymerization / cytoskeletal anchor activity / regulation of modification of postsynaptic actin cytoskeleton / regulation of dendritic spine morphogenesis / RNA 7-methylguanosine cap binding / ruffle organization / actin polymerization or depolymerization / cell projection assembly / proline-rich region binding / positive regulation of ruffle assembly / axon extension / cortical actin cytoskeleton organization / lamellipodium assembly / positive regulation of dendrite development / regulation of myelination / positive regulation of actin filament polymerization / protein kinase A binding / protein kinase A regulatory subunit binding / Rac protein signal transduction / filamentous actin / dendritic growth cone / lamellipodium membrane / excitatory synapse / RHOG GTPase cycle / RAC2 GTPase cycle / RHO GTPases Activate WASPs and WAVEs / RAC3 GTPase cycle / positive regulation of axon extension / axonal growth cone / response to electrical stimulus / mitophagy / positive regulation of lamellipodium assembly / ruffle / translation repressor activity / cellular response to brain-derived neurotrophic factor stimulus / signaling adaptor activity / actin filament polymerization / cytoskeleton organization / RAC1 GTPase cycle / receptor-mediated endocytosis / axon guidance / neuron projection morphogenesis / central nervous system development / actin filament organization / filopodium / adherens junction / mitochondrion organization / FCGR3A-mediated phagocytosis / cell motility / positive regulation of protein-containing complex assembly / terminal bouton / cell morphogenesis / peptidyl-tyrosine phosphorylation / small GTPase binding / SH3 domain binding / Regulation of actin dynamics for phagocytic cup formation / VEGFA-VEGFR2 Pathway / kinase binding / cognition / cellular response to insulin stimulus / specific granule lumen / positive regulation of fibroblast proliferation / neuron migration / actin filament binding / tertiary granule lumen / cell migration / regulation of translation / lamellipodium / actin cytoskeleton / regulation of cell shape / actin binding / actin cytoskeleton organization / protein-containing complex assembly / fibroblast proliferation / secretory granule lumen / dendritic spine / in utero embryonic development / mitochondrial outer membrane / cytoskeleton / postsynapse / neuron projection / focal adhesion / neuronal cell body
Similarity search - Function
Helix Hairpins - #1620 / Methane Monooxygenase Hydroxylase; Chain G, domain 1 - #150 / Cytoplasmic FMR1-interacting / Nck-associated protein 1 / Cytoplasmic Fragile-X interacting family / Nck-associated protein 1 / Protein BRICK1 / Abl interactor 2, SH3 domain / CYRIA/CYRIB, Rac1 binding domain / Abl-interactor, homeo-domain homologous domain ...Helix Hairpins - #1620 / Methane Monooxygenase Hydroxylase; Chain G, domain 1 - #150 / Cytoplasmic FMR1-interacting / Nck-associated protein 1 / Cytoplasmic Fragile-X interacting family / Nck-associated protein 1 / Protein BRICK1 / Abl interactor 2, SH3 domain / CYRIA/CYRIB, Rac1 binding domain / Abl-interactor, homeo-domain homologous domain / SCAR/WAVE family / ABI family / CYRIA/CYRIB Rac1 binding domain / Abl-interactor HHR / Single alpha-helices involved in coiled-coils or other helix-helix interfaces - #340 / Single alpha-helices involved in coiled-coils or other helix-helix interfaces - #110 / Wiskott Aldrich syndrome homology region 2 / WH2 motif / WH2 domain / WH2 domain profile. / t-SNARE coiled-coil homology domain profile. / Target SNARE coiled-coil homology domain / Methane Monooxygenase Hydroxylase; Chain G, domain 1 / Variant SH3 domain / Helix Hairpins / SH3 domain / Single alpha-helices involved in coiled-coils or other helix-helix interfaces / Helix non-globular / Special / Src homology 3 domains / SH3-like domain superfamily / Src homology 3 (SH3) domain profile. / SH3 domain / Up-down Bundle / Mainly Alpha
Similarity search - Domain/homology
Abl interactor 2 / Cytoplasmic FMR1-interacting protein 1 / Protein BRICK1 / Actin-binding protein WASF1 / Abl interactor 2 / Nck-associated protein 1
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.43 Å
AuthorsChen, Z.C.
CitationJournal: Cell(Cambridge,Mass.) / Year: 2014
Title: The WAVE Regulatory Complex Links Diverse Receptors to the Actin Cytoskeleton.
Authors: Chen, B. / Brinkmann, K. / Chen, Z. / Pak, C.W. / Liao, Y. / Shi, S. / Henry, L. / Grishin, N.V. / Bogdan, S. / Rosen, M.K.
History
DepositionOct 15, 2013Deposition site: RCSB / Processing site: RCSB
Revision 1.0Feb 5, 2014Provider: repository / Type: Initial release
Revision 1.1Feb 28, 2024Group: Data collection / Database references / Derived calculations
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Cytoplasmic FMR1-interacting protein 1
B: Nck-associated protein 1
D: Wiskott-Aldrich syndrome protein family member 1
E: Protein BRICK1
F: Abl interactor 2
P: WIRS
hetero molecules


Theoretical massNumber of molelcules
Total (without water)403,90126
Polymers402,2856
Non-polymers1,61520
Water13,439746
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area44400 Å2
ΔGint-268 kcal/mol
Surface area111240 Å2
MethodPISA
Unit cell
Length a, b, c (Å)97.492, 114.750, 323.605
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

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Components

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Protein , 5 types, 5 molecules ABDEF

#1: Protein Cytoplasmic FMR1-interacting protein 1 / Specifically Rac1-associated protein 1 / Sra-1 / p140sra-1


Mass: 145363.750 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: CYFIP1, KIAA0068 / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: Q7L576
#2: Protein Nck-associated protein 1 / NAP 1 / Membrane-associated protein HEM-2 / p125Nap1


Mass: 128940.727 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: NCKAP1, HEM2, KIAA0587, NAP1 / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: Q9Y2A7
#3: Protein Wiskott-Aldrich syndrome protein family member 1 / WASP family protein member 1 / Protein WAVE-1 / Verprolin homology domain-containing protein 1


Mass: 61728.980 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: WASF1, KIAA0269, SCAR1, WAVE1 / Production host: Escherichia coli (E. coli) / References: UniProt: Q92558
#4: Protein Protein BRICK1 / BRK1


Mass: 8756.915 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: BRK1, C3orf10, HSPC300, MDS027 / Production host: Escherichia coli (E. coli) / References: UniProt: Q8WUW1
#5: Protein Abl interactor 2


Mass: 55806.977 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: ABI2 / Production host: Escherichia coli (E. coli) / References: UniProt: J3KNB2, UniProt: Q9NYB9*PLUS

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Protein/peptide , 1 types, 1 molecules P

#6: Protein/peptide WIRS


Mass: 1687.894 Da / Num. of mol.: 1 / Source method: obtained synthetically

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Non-polymers , 3 types, 766 molecules

#7: Chemical
ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Cl
#8: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: C3H8O3
#9: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 746 / Source method: isolated from a natural source / Formula: H2O

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.25 Å3/Da / Density % sol: 45.33 %
Crystal growTemperature: 277 K / Method: evaporation / pH: 8.5
Details: 10% glycerol, 4% PEG 10,000, 12-20% PEG 300, 100 mM Tris-HCl, 2mM EDTA, 2 mM TCEP, pH 8.5, EVAPORATION, temperature 277K

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Data collection

DiffractionMean temperature: 173 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.9796 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Jan 12, 2010
RadiationMonochromator: SAGITALLY FOCUSED Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9796 Å / Relative weight: 1
ReflectionResolution: 2.43→20 Å / Num. all: 263711 / Num. obs: 262551 / % possible obs: 100 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0
Reflection shellResolution: 2.43→2.48 Å / % possible all: 99

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Processing

Software
NameVersionClassification
HKL-2000data collection
PHASERphasing
PHENIX(phenix.refine: 1.7.1_743)refinement
HKL-2000data reduction
HKL-2000data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.43→19.977 Å / SU ML: 0.69 / σ(F): 1.34 / Phase error: 24 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2089 3512 1.34 %
Rwork0.1891 --
obs0.1894 262551 99.56 %
all-263711 -
Solvent computationShrinkage radii: 0.95 Å / VDW probe radii: 1.2 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 45.526 Å2 / ksol: 0.323 e/Å3
Displacement parameters
Baniso -1Baniso -2Baniso -3
1-16.7148 Å20 Å2-0 Å2
2--0.0943 Å20 Å2
3----16.8091 Å2
Refinement stepCycle: LAST / Resolution: 2.43→19.977 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms21908 0 100 746 22754
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00222517
X-RAY DIFFRACTIONf_angle_d0.46330397
X-RAY DIFFRACTIONf_dihedral_angle_d10.9828527
X-RAY DIFFRACTIONf_chiral_restr0.0363417
X-RAY DIFFRACTIONf_plane_restr0.0023871
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.43-2.46320.37821350.30969742X-RAY DIFFRACTION94
2.4632-2.49840.29421400.286310217X-RAY DIFFRACTION98
2.4984-2.53560.29181410.275210245X-RAY DIFFRACTION99
2.5356-2.57510.31430.263210414X-RAY DIFFRACTION100
2.5751-2.61720.30421400.259510389X-RAY DIFFRACTION100
2.6172-2.66230.30021390.247710441X-RAY DIFFRACTION100
2.6623-2.71060.29031410.248310415X-RAY DIFFRACTION100
2.7106-2.76260.30811380.245310339X-RAY DIFFRACTION100
2.7626-2.81880.25171420.233510381X-RAY DIFFRACTION100
2.8188-2.87990.23361430.225810477X-RAY DIFFRACTION100
2.8799-2.94670.29871430.220110432X-RAY DIFFRACTION100
2.9467-3.02020.28281410.227610401X-RAY DIFFRACTION100
3.0202-3.10150.25961410.218810304X-RAY DIFFRACTION100
3.1015-3.19240.25881420.21210453X-RAY DIFFRACTION100
3.1924-3.29510.22151390.20910341X-RAY DIFFRACTION100
3.2951-3.41230.23081410.201110452X-RAY DIFFRACTION100
3.4123-3.54820.22581400.199410363X-RAY DIFFRACTION100
3.5482-3.70870.22491410.190610449X-RAY DIFFRACTION100
3.7087-3.90280.21081370.170210385X-RAY DIFFRACTION100
3.9028-4.14530.16911400.154810364X-RAY DIFFRACTION100
4.1453-4.46210.18751450.144510439X-RAY DIFFRACTION100
4.4621-4.90510.11971430.140110411X-RAY DIFFRACTION100
4.9051-5.60120.15071420.162310368X-RAY DIFFRACTION100
5.6012-7.00590.2051360.20610430X-RAY DIFFRACTION100
7.0059-19.97760.14811390.147710387X-RAY DIFFRACTION100
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)
1-0.04130.1251-0.0102-0.0379-0.0372-0.03130.0395-0.22020.4331-0.04950.01030.41590.07570.202800.5168-0.0306-0.05570.50450.04650.394545.643956.0738253.0081
20.33020.439-0.4879-0.34890.34560.3078-0.16340.1129-0.09520.44180.1629-0.10460.1269-0.1464-00.22710.05170.08410.32820.05360.18680.778345.4532240.807
30.11530.0127-0.28240.19320.16660.2777-0.3575-0.14370.16520.09170.1312-0.038-0.1285-0.0757-00.32930.0809-0.04470.27140.01880.282517.677652.9928243.9399
40.0462-0.04920.03180.01620.04760.1144-0.1523-0.00360.38680.25020.06570.1832-0.305-0.163200.4160.1730.04850.4763-0.02290.4068-6.686251.7564244.0854
50.2101-0.14380.06490.0998-0.1430.2333-0.2371-0.0236-0.02490.01770.13280.0169-0.15150.0521-00.37820.0205-0.11950.2318-0.01280.296525.701461.1756236.3616
6-0.0071-0.005-0.04630.0044-0.0081-0.03680.0130.2424-0.22520.05010.4042-0.088-0.3414-0.2295-00.70560.0853-0.0250.48870.10340.255430.691554.8363214.6862
70.1078-0.09230.0233-0.04-0.01410.0248-0.31880.0016-0.21040.2020.32580.24540.01830.5409-00.11930.1086-0.10840.2885-0.11730.25745.200633.0612221.7771
80.0451-0.2661-0.5167-0.06150.05750.48880.04830.08750.09550.03270.0116-0.1032-0.1007-0.024800.29080.0027-0.03940.20340.01360.308727.080645.4627220.0639
9-0.0455-0.0233-0.07620.3939-0.16130.1830.02770.0143-0.03980.10140.0133-0.11590.0284-0.0313-00.28760.0187-0.09780.2579-0.010.28141.362938.1077240.052
100.02230.00570.01660.0253-0.00840.0121-0.5792-0.25520.03310.1358-0.4187-0.25010.27-0.0339-00.93840.0394-0.59191.0946-0.04510.978858.888934.4288261.2691
110.1726-0.00610.02380.2801-0.14130.32710.11350.16430.06690.1246-0.0993-0.0820.0005-0.024400.42950.0122-0.07670.30660.02540.369941.410941.706246.228
12-0.0876-0.2481-0.23480.39640.22420.1482-0.00040.0631-0.02050.0492-0.01-0.0297-0.0256-0.0593-00.2074-0.0206-0.01740.2445-0.020.241217.959933.6725208.2219
13-0.146-0.08950.05270.3340.34620.11070.02080.052-0.0540.0179-0.085-0.0529-0.08360.0078-00.2496-0.0348-0.00060.2821-0.02890.309819.989318.5458193.5673
14-0.03050.2144-0.03030.16460.36410.32350.0810.0081-0.00870.0284-0.1383-0.04260.1173-0.1457-00.24790.00790.00350.2478-0.05210.244415.46379.8279173.4137
150.14520.01720.19480.05280.2160.1180.0622-0.0005-0.0175-0.0233-0.1999-0.0049-0.0606-0.1049-00.3739-0.0255-0.00050.3337-0.04540.374917.601319.1466173.7394
160.2485-0.2142-0.12180.83530.16250.0795-0.0293-0.02190.0171-0.1035-0.240.1327-0.1196-0.3947-00.19380.0598-0.02310.3975-0.08530.25825.76951.0402142.4106
170.04280.0377-0.0997-0.0083-0.27180.0762-0.1098-0.0235-0.0107-0.08120.0346-0.09420.1323-0.0628-00.29190.03090.03230.3026-0.03650.330531.3509-2.1738168.0379
180.0554-0.0053-0.01390.2661-0.1386-0.0392-0.04930.00390.09930.0222-0.1602-0.1510.6557-0.175500.45250.13240.00980.25140.05880.379239.6947-11.6657178.2632
190.14810.1135-0.28910.37140.55330.46660.00530.0161-0.0207-0.0526-0.0733-0.0388-0.0578-0.157800.2710.04810.00780.3142-0.03190.296314.05340.5154138.2062
20-0.0012-0.02610.02760.0135-0.0050.0019-0.07450.0636-0.18480.10670.23740.1742-0.0754-0.11500.7263-0.21970.09160.6611-0.12890.457214.8608-32.1373129.4916
210.1015-0.1130.07390.06-0.01390.0459-0.01370.033-0.0590.03640.0282-0.09960.16360.140700.28780.06940.10320.3199-0.05250.377665.7965-22.2384114.7955
220.1638-0.22-0.1334-0.40540.54980.1194-0.199-0.07820.011-0.10790.18030.0980.27720.047900.26070.08840.11490.2951-0.05620.294459.2076-28.0335110.6435
230.12410.14630.00030.0872-0.110.0544-0.11340.4393-0.0251-0.0610.1649-0.0138-0.06220.3727-00.27570.07070.09260.4803-0.09710.345372.9806-23.7659110.0139
240.2618-0.2729-0.26750.21120.39110.39940.02720.07740.0302-0.0732-0.0219-0.0122-0.0643-0.103500.3194-0.00770.05830.29740.00530.264339.6673-16.0845106.0872
250.3014-0.0246-0.06820.11110.0309-0.0138-0.06290.13440.0962-0.0617-0.00040.0444-0.0703-0.23100.2673-0.02190.03410.26380.00020.31634.1961-7.9841113.3587
260.24390.2778-0.23760.54330.07910.5695-0.05230.00920.01220.04120.0006-0.0350.1112-0.068700.27170.00330.05150.2274-0.01960.252332.2205-28.7004120.097
270.0309-0.144-0.2545-0.0867-0.00820.40240.0049-0.08470.0135-0.08920.0198-0.0034-0.01140.115500.28790.01360.02920.2933-0.03620.330345.8007-6.9472136.5488
28-0.00010.0080.05180.0452-0.06780.04590.0364-0.0126-0.2011-0.43320.177-0.2036-0.5536-0.0195-00.40320.03130.0420.2809-0.02830.202827.709928.9381166.6542
29-0.3103-0.009-0.1007-0.14610.02850.55360.0077-0.02740.0032-0.04560.02920.0193-0.01620.050100.30240.0150.01970.3204-0.02890.30838.41093.0386154.8491
300.10380.06330.1260.2102-0.03510.46570.02260.0683-0.07930.0354-0.0110.1216-0.0830.232900.0758-0.02110.02530.158-0.03720.154548.106415.8494178.4307
310.1218-0.2235-0.08330.4188-0.01850.1545-0.0818-0.0245-0.0026-0.02990.0638-0.21050.09720.1719-00.17140.044-0.07230.3924-0.02350.334661.207518.0791202.555
320.15940.0063-0.01380.19530.0390.04340.025-0.09420.05770.191-0.0259-0.00170.09290.0167-00.3029-0.006-0.02570.21740.01020.242939.0573-0.3301191.1585
330.22740.0404-0.13810.0719-0.0240.20740.0215-0.05150.0614-0.00220.0131-0.02240.14310.145200.38770.0065-0.09290.46-0.00030.416157.278314.3773202.6841
340.3372-0.2678-0.0750.05430.45490.491-0.0576-0.0597-0.01330.09360.07340.0804-0.04390.160600.3002-0.0113-0.01240.3057-0.02730.31146.748822.6878206.5823
35-0.00120.01730.00780.0009-0.0073-0.001-0.0894-0.001-0.082-0.0679-0.08950.00270.0169-0.0468-01.52790.0108-0.41351.4006-0.02291.242532.400431.7312261.2885
36-0.00270.0103-0.00480.0044-0.0040.00690.1636-0.02690.19930.19680.0305-0.0738-0.0318-0.127300.904-0.0036-0.08550.6742-0.0970.535231.429820.8986260.9308
370.0169-0.02570.01120.0027-0.02940.0098-0.4185-0.09640.01250.0122-0.2065-0.4999-0.2209-0.353800.3916-0.1567-0.13290.7903-1.0314-0.418224.099913.2068242.6941
380.00230.03240.01090.0062-0.03070.0186-0.1826-0.20220.3764-0.20240.22820.2270.0469-0.392-00.5497-0.27980.05140.9703-0.25990.722918.46525.1838223.3337
390.0088-0.0028-0.01480.01650.00090.0078-0.1728-0.31160.2665-0.0102-0.16550.25360.0652-0.1376-00.6514-0.21320.03590.394-0.01640.405215.3301-5.5601209.2524
400.0187-0.00780.0024-0.0047-0.00480.0050.2597-0.2252-0.1322-0.17580.03660.01920.1328-0.1217-00.7609-0.20310.03770.4926-0.05330.376415.0091-15.6498192.0057
410.0009-0.00220.0019-0.00140.0031-0.0151-0.07650.0413-0.0006-0.0641-0.10330.0889-0.0676-0.1547-01.27430.0215-0.06010.94550.11371.51073.3409-5.6222181.1846
420.01270.0061-0.01020.0169-0.0070.00320.2151-0.1089-0.15630.0003-0.02430.2773-0.1574-0.072-00.4879-0.04780.04840.5219-0.06670.39167.38786.4336194.7578
43-0.00670.00570.0115-0.0050.00740.00810.01940.20020.0028-0.03620.08230.21620.0037-0.1862-00.4719-0.0158-0.05610.658-0.16730.48819.119218.9565208.6816
440.01020.00460.01120.01520.03210.0167-0.43240.1336-0.43330.26730.1198-0.06610.15010.0042-00.5952-0.0310.06190.3680.0630.38329.203720.5981225.5763
450.0058-0.0025-0.01130.005-0.00370.0117-0.1221-0.11970.1610.0426-0.02360.19-0.014-0.0109-00.6883-0.0080.16750.5775-0.04570.48483.12129.4456233.9794
460.00490.0185-0.00070.00630.00330.001-0.22010.0915-0.1322-0.1153-0.12950.01980.0327-0.0949-00.4483-0.14540.12740.7142-0.02230.6185-14.156234.8568226.4794
470.0258-0.0459-0.0041-0.0277-0.02170.00830.0570.135-0.1401-0.0371-0.15140.23910.0643-0.185800.40130.042-0.03310.5734-0.0310.4607-1.656634.7185216.644
480.00190.008-0.00330.0083-0.0030.00760.08730.04530.06880.0692-0.01590.1351-0.11160.0854-00.70660.30760.04351.06330.16230.47491.633637.9569200.3934
490.0046-0.00040.00030.0021-0.0047-0.0008-0.0078-0.00820.02720.06230.01220.03610.00990.066301.29010.1840.03491.65340.07641.25741.631741.2314190.2299
500.1069-0.06310.1259-0.01930.0655-0.0843-0.374-0.0710.3552-0.15720.0327-0.01590.4651-0.269700.86720.2069-0.1810.7807-0.18960.7961-0.50997.434168.7486
510.0017-0.0034-0.00460.0002-0.00470.00130.057-0.06250.0999-0.00970.02680.1706-0.0126-0.074601.0089-0.06820.09361.34030.05970.8483-1.62795.5375174.7661
520-0.00060.00090.0062-0.00480.00130.0412-0.0213-0.13560.09340.0404-0.05470.0297-0.024-0.00011.5823-0.3110.03051.89230.27361.4302-2.398312.8891183.3288
530.00640.0027-0.00430.00210.00430.00060.015-0.01250.0113-0.02110.038-0.04440.01810.006400.38340.05330.03190.60510.00450.56211.674224.5053203.2764
54-0.011-0.0045-0.00230.00270.00840.00610.1542-0.02720.3071-0.072-0.19840.06890.1474-0.2351-00.39120.1969-0.03410.60220.01480.4636.826631.0013194.3738
550.0082-0.0024-0.0007-0.00110.0025-0.0005-0.0052-0.05790.05640.07640.0304-0.0730.01580.0401-00.83270.1737-0.34830.6603-0.09020.608443.454626.7947263.3893
560.0198-0.0129-0.00010.02420.0336-0.0099-0.00010.1024-0.08510.3406-0.083-0.0901-0.0166-0.1095-00.465-0.0218-0.03960.3679-0.04740.425338.040620.6485248.8674
57-0.01720.0258-0.0264-0.0011-0.02760.0281-0.3622-0.1574-0.0622-0.1327-0.22360.2525-0.1368-0.0923-00.61250.0896-0.1280.4027-0.0630.46929.005212.9773226.172
58-0.0004-0.00040.0128-0.00510.00890.004-0.3234-0.14630.0074-0.069-0.01430.13870.0064-0.067800.3403-0.0811-0.03990.3371-0.02080.324621.01524.7932207.8812
590.0012-0.0030.00180.0293-0.0067-0.0186-0.2319-0.1847-0.2704-0.2683-0.3072-0.0205-0.1627-0.3336-00.464-0.09690.02270.3506-0.08250.432511.8047-2.7767194.2186
600.00230.00090.00070.01110.00010.00090.1856-0.0219-0.1305-0.0899-0.0599-0.08150.068-0.084101.1596-0.4051-0.41380.1167-0.18120.280224.2549-10.3776219.9587
610.00130.01150.0011-0.00230.0010.00480.2495-0.0113-0.0780.03760.10130.1630.1163-0.1687-00.9508-0.6849-0.2910.6535-0.3482-0.059822.2699-6.6236227.1601
62-0.00090.03130.0022-0.00670.01660.0032-0.571-0.14730.0060.1550.02720.00320.0548-0.249-00.2593-2.0974-0.54470.4841-1.3251-0.158920.25332.9293239.6128
630.045-0.0514-0.0329-0.00310.00380.0295-0.11810.3038-0.18030.3143-0.33350.0773-0.0244-0.156500.7659-0.18090.12441.1778-0.1210.380125.853410.9082260.1938
640.0072-0.0114-0.0063-0.0031-0.00390.0061-0.1125-0.0625-0.08590.1420.1418-0.04450.22430.038900.611-0.1045-0.04250.6577-0.06150.539933.9759.6743257.3505
650.0404-0.07210.0050.00620.02270.00450.07020.01490.16650.2592-0.27320.15030.2922-0.177900.6336-0.15710.01380.38-0.01640.237730.93844.1086236.4917
660.02430.0061-0.0010.00610.01720.01250.00160.06630.17680.1774-0.2151-0.00370.26840.1645-00.5777-0.05620.06040.286-0.00450.333726.9951-3.0247213.4456
670.0084-0.021-0.01350.0049-0.0530.0373-0.08520.12490.00810.015-0.1102-0.1170.08460.1366-00.4205-0.0763-0.00790.33820.01540.382922.4493-7.9669190.6185
680.01420.02120.02330.01370.00170.0124-0.0474-0.1328-0.34740.0352-0.0539-0.0230.3255-0.2072-00.5141-0.00190.03720.2806-0.03230.322120.1928-12.0716169.1486
690.01210.04750.03710.05020.05110.0255-0.03310.17870.05560.0448-0.47290.2530.30540.1637-00.64750.16030.06510.5236-0.05670.396445.7899-18.3926152.1991
70-0.00180.00640.0053-0.00640.02040.0018-0.1107-0.2667-0.37470.19260.1475-0.2835-0.0913-0.031500.59590.18960.07230.4710.00730.65862.3924-31.4955130.1721
710.07350.11110.09870.0196-0.0039-0.04840.24851.5571-1.2692-0.47910.0075-0.20840.87531.4362-0-0.98821.53380.9814-0.4598-0.8732-0.338550.0041-44.5415116.4606
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1(CHAIN A AND RESID 5:68)
2X-RAY DIFFRACTION2(CHAIN A AND RESID 69:144)
3X-RAY DIFFRACTION3(CHAIN A AND RESID 145:185)
4X-RAY DIFFRACTION4(CHAIN A AND RESID 186:223)
5X-RAY DIFFRACTION5(CHAIN A AND RESID 224:334)
6X-RAY DIFFRACTION6(CHAIN A AND RESID 335:350)
7X-RAY DIFFRACTION7(CHAIN A AND RESID 351:382)
8X-RAY DIFFRACTION8(CHAIN A AND RESID 383:439)
9X-RAY DIFFRACTION9(CHAIN A AND RESID 440:521)
10X-RAY DIFFRACTION10(CHAIN A AND RESID 522:546)
11X-RAY DIFFRACTION11(CHAIN A AND RESID 547:617)
12X-RAY DIFFRACTION12(CHAIN A AND RESID 618:738)
13X-RAY DIFFRACTION13(CHAIN A AND RESID 739:806)
14X-RAY DIFFRACTION14(CHAIN A AND RESID 807:873)
15X-RAY DIFFRACTION15(CHAIN A AND RESID 874:920)
16X-RAY DIFFRACTION16(CHAIN A AND RESID 921:998)
17X-RAY DIFFRACTION17(CHAIN A AND RESID 999:1036)
18X-RAY DIFFRACTION18(CHAIN A AND RESID 1037:1098)
19X-RAY DIFFRACTION19(CHAIN A AND RESID 1099:1227)
20X-RAY DIFFRACTION20(CHAIN A AND RESID 1237:1250)
21X-RAY DIFFRACTION21(CHAIN B AND RESID 7:66)
22X-RAY DIFFRACTION22(CHAIN B AND RESID 67:143)
23X-RAY DIFFRACTION23(CHAIN B AND RESID 144:186)
24X-RAY DIFFRACTION24(CHAIN B AND RESID 187:314)
25X-RAY DIFFRACTION25(CHAIN B AND RESID 315:368)
26X-RAY DIFFRACTION26(CHAIN B AND RESID 369:534)
27X-RAY DIFFRACTION27(CHAIN B AND RESID 535:624)
28X-RAY DIFFRACTION28(CHAIN B AND RESID 625:660)
29X-RAY DIFFRACTION29(CHAIN B AND RESID 661:768)
30X-RAY DIFFRACTION30(CHAIN B AND RESID 769:850)
31X-RAY DIFFRACTION31(CHAIN B AND RESID 851:917)
32X-RAY DIFFRACTION32(CHAIN B AND RESID 918:968)
33X-RAY DIFFRACTION33(CHAIN B AND RESID 969:1017)
34X-RAY DIFFRACTION34(CHAIN B AND RESID 1018:1121)
35X-RAY DIFFRACTION35(CHAIN D AND RESID 15:22)
36X-RAY DIFFRACTION36(CHAIN D AND RESID 23:33)
37X-RAY DIFFRACTION37(CHAIN D AND RESID 34:49)
38X-RAY DIFFRACTION38(CHAIN D AND RESID 50:62)
39X-RAY DIFFRACTION39(CHAIN D AND RESID 63:73)
40X-RAY DIFFRACTION40(CHAIN D AND RESID 74:87)
41X-RAY DIFFRACTION41(CHAIN D AND RESID 88:98)
42X-RAY DIFFRACTION42(CHAIN D AND RESID 99:106)
43X-RAY DIFFRACTION43(CHAIN D AND RESID 107:111)
44X-RAY DIFFRACTION44(CHAIN D AND RESID 112:125)
45X-RAY DIFFRACTION45(CHAIN D AND RESID 126:132)
46X-RAY DIFFRACTION46(CHAIN D AND RESID 133:144)
47X-RAY DIFFRACTION47(CHAIN D AND RESID 145:162)
48X-RAY DIFFRACTION48(CHAIN D AND RESID 163:169)
49X-RAY DIFFRACTION49(CHAIN D AND RESID 170:176)
50X-RAY DIFFRACTION50(CHAIN D AND RESID 177:501)
51X-RAY DIFFRACTION51(CHAIN D AND RESID 502:511)
52X-RAY DIFFRACTION52(CHAIN D AND RESID 512:516)
53X-RAY DIFFRACTION53(CHAIN D AND RESID 527:532)
54X-RAY DIFFRACTION54(CHAIN D AND RESID 533:543)
55X-RAY DIFFRACTION55(CHAIN E AND RESID 6:13)
56X-RAY DIFFRACTION56(CHAIN E AND RESID 14:29)
57X-RAY DIFFRACTION57(CHAIN E AND RESID 30:46)
58X-RAY DIFFRACTION58(CHAIN E AND RESID 47:58)
59X-RAY DIFFRACTION59(CHAIN E AND RESID 59:72)
60X-RAY DIFFRACTION60(CHAIN F AND RESID 0:5)
61X-RAY DIFFRACTION61(CHAIN F AND RESID 6:12)
62X-RAY DIFFRACTION62(CHAIN F AND RESID 13:26)
63X-RAY DIFFRACTION63(CHAIN F AND RESID 27:44)
64X-RAY DIFFRACTION64(CHAIN F AND RESID 45:53)
65X-RAY DIFFRACTION65(CHAIN F AND RESID 54:73)
66X-RAY DIFFRACTION66(CHAIN F AND RESID 74:86)
67X-RAY DIFFRACTION67(CHAIN F AND RESID 87:104)
68X-RAY DIFFRACTION68(CHAIN F AND RESID 105:116)
69X-RAY DIFFRACTION69(CHAIN F AND RESID 117:130)
70X-RAY DIFFRACTION70(CHAIN F AND RESID 131:139)
71X-RAY DIFFRACTION71(CHAIN F AND RESID 140:155)

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