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- PDB-3p8c: Structure and Control of the Actin Regulatory WAVE Complex -

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Basic information

Entry
Database: PDB / ID: 3p8c
TitleStructure and Control of the Actin Regulatory WAVE Complex
Components
  • Abl interactor 2
  • Cytoplasmic FMR1-interacting protein 1
  • Nck-associated protein 1
  • Probable protein BRICK1
  • Wiskott-Aldrich syndrome protein family member 1
KeywordsPROTEIN BINDING / actin polymerization
Function / homology
Function and homology information


actin-based cell projection / zygotic determination of anterior/posterior axis, embryo / dendritic transport of mitochondrion / SCAR complex / notochord morphogenesis / mesodermal cell migration / zonula adherens assembly / positive regulation of neurotrophin TRK receptor signaling pathway / lamellipodium morphogenesis / cell projection morphogenesis ...actin-based cell projection / zygotic determination of anterior/posterior axis, embryo / dendritic transport of mitochondrion / SCAR complex / notochord morphogenesis / mesodermal cell migration / zonula adherens assembly / positive regulation of neurotrophin TRK receptor signaling pathway / lamellipodium morphogenesis / cell projection morphogenesis / basal protein localization / paraxial mesoderm morphogenesis / positive regulation of Arp2/3 complex-mediated actin nucleation / embryonic body morphogenesis / establishment or maintenance of actin cytoskeleton polarity / cell migration involved in gastrulation / regulation of actin polymerization or depolymerization / Arp2/3 complex binding / dendrite extension / regulation of translation at postsynapse, modulating synaptic transmission / modification of postsynaptic actin cytoskeleton / lens fiber cell morphogenesis / filopodium tip / embryonic foregut morphogenesis / cytoskeletal anchor activity / regulation of actin filament polymerization / regulation of modification of postsynaptic actin cytoskeleton / endoderm development / regulation of dendritic spine morphogenesis / RNA 7-methylguanosine cap binding / cell projection assembly / actin polymerization or depolymerization / ruffle organization / embryonic heart tube development / proline-rich region binding / axon extension / apical protein localization / cortical actin cytoskeleton organization / lamellipodium assembly / protein kinase A binding / protein kinase A regulatory subunit binding / positive regulation of actin filament polymerization / filamentous actin / Rac protein signal transduction / lamellipodium membrane / RHOG GTPase cycle / RAC2 GTPase cycle / RAC3 GTPase cycle / RHO GTPases Activate WASPs and WAVEs / somitogenesis / mitophagy / positive regulation of lamellipodium assembly / neuron projection morphogenesis / cellular response to brain-derived neurotrophic factor stimulus / ruffle / translation repressor activity / signaling adaptor activity / actin filament polymerization / RAC1 GTPase cycle / cytoskeleton organization / dendrite cytoplasm / receptor-mediated endocytosis / axon guidance / peptidyl-tyrosine phosphorylation / actin filament organization / central nervous system development / neural tube closure / mitochondrion organization / FCGR3A-mediated phagocytosis / adherens junction / positive regulation of protein-containing complex assembly / cell motility / Regulation of actin dynamics for phagocytic cup formation / SH3 domain binding / small GTPase binding / VEGFA-VEGFR2 Pathway / kinase binding / cognition / specific granule lumen / neuron migration / cell morphogenesis / positive regulation of fibroblast proliferation / actin filament binding / tertiary granule lumen / cell migration / regulation of cell shape / lamellipodium / actin cytoskeleton / regulation of translation / regulation of protein localization / 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
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 profile. / WH2 domain / t-SNARE coiled-coil homology domain profile. / Methane Monooxygenase Hydroxylase; Chain G, domain 1 / Target SNARE coiled-coil homology 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 / MIRAS / Resolution: 2.29 Å
AuthorsChen, Z. / Borek, D. / Padrick, S.B. / Gomez, T.S. / Metlagel, Z. / Ismail, A.M. / Umetani, J. / Billadeau, D.D. / Otwinowski, Z. / Rosen, M.K.
CitationJournal: Nature / Year: 2010
Title: Structure and control of the actin regulatory WAVE complex.
Authors: Chen, Z. / Borek, D. / Padrick, S.B. / Gomez, T.S. / Metlagel, Z. / Ismail, A.M. / Umetani, J. / Billadeau, D.D. / Otwinowski, Z. / Rosen, M.K.
History
DepositionOct 13, 2010Deposition site: RCSB / Processing site: RCSB
Revision 1.0Dec 1, 2010Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Sep 21, 2011Group: Database references
Revision 1.3Aug 2, 2017Group: Refinement description / Source and taxonomy / Category: entity_src_gen / software
Revision 1.4Feb 21, 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: Probable protein BRICK1
F: Abl interactor 2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)333,84317
Polymers333,1055
Non-polymers73912
Water17,240957
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area41520 Å2
ΔGint-296 kcal/mol
Surface area111710 Å2
MethodPISA
Unit cell
Length a, b, c (Å)97.013, 113.982, 327.193
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: 31930.779 Da / Num. of mol.: 1 / Mutation: prolin rich region deletion mutant
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 Probable protein BRICK1


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


Mass: 18112.561 Da / Num. of mol.: 1 / Fragment: N-terminal domain
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Escherichia coli (E. coli) / References: UniProt: B4DSN1, UniProt: Q9NYB9*PLUS

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Non-polymers , 4 types, 969 molecules

#6: Chemical ChemComp-TRS / 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / TRIS BUFFER


Mass: 122.143 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C4H12NO3 / Comment: pH buffer*YM
#7: Chemical
ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: Cl
#8: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C3H8O3
#9: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 957 / 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: 2

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Sample preparation

CrystalDensity Matthews: 2.72 Å3/Da / Density % sol: 54.7 %
Crystal growTemperature: 277 K / Method: vapor diffusion, hanging drop / pH: 8.5
Details: 10 % (w/v) glycerol, 4 % PEG 10,000, 12-20 % PEG 300, 100 mM Tris-HCl, 2 mM TCEP, 2 mM EDTA, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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Data collection

DiffractionMean temperature: 150 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.97924 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Aug 15, 2009
RadiationMonochromator: SAGITALLY FOCUSED Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97924 Å / Relative weight: 1
ReflectionResolution: 2.28→47.98 Å / Num. all: 164128 / Num. obs: 144578 / % possible obs: 88 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 2.5 % / Biso Wilson estimate: 33.4 Å2 / Rsym value: 0.065 / Net I/σ(I): 12.4
Reflection shellResolution: 2.28→2.31 Å / Redundancy: 1.6 % / Mean I/σ(I) obs: 3.4 / Num. unique all: 1157 / Rsym value: 0.196 / % possible all: 28.3

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Processing

Software
NameVersionClassification
ADSCQuantumdata collection
MLPHAREphasing
REFMAC5.5.0102refinement
HKL-3000data reduction
HKL-3000data scaling
RefinementMethod to determine structure: MIRAS / Resolution: 2.29→47.98 Å / Cor.coef. Fo:Fc: 0.949 / Cor.coef. Fo:Fc free: 0.924 / SU B: 14.763 / SU ML: 0.16 / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / ESU R Free: 0.239 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.23704 7144 5 %RANDOM
Rwork0.18807 ---
all0.1905 155636 --
obs0.1905 135310 86.94 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso mean: 18.077 Å2
Baniso -1Baniso -2Baniso -3
1--0.04 Å20 Å20 Å2
2--0 Å20 Å2
3---0.04 Å2
Refinement stepCycle: LAST / Resolution: 2.29→47.98 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms21789 0 39 957 22785
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0060.02222499
X-RAY DIFFRACTIONr_bond_other_d
X-RAY DIFFRACTIONr_angle_refined_deg0.8791.96530406
X-RAY DIFFRACTIONr_angle_other_deg
X-RAY DIFFRACTIONr_dihedral_angle_1_deg4.0852721
X-RAY DIFFRACTIONr_dihedral_angle_2_deg36.10524.0191080
X-RAY DIFFRACTIONr_dihedral_angle_3_deg14.168154188
X-RAY DIFFRACTIONr_dihedral_angle_4_deg13.69215159
X-RAY DIFFRACTIONr_chiral_restr0.0630.23416
X-RAY DIFFRACTIONr_gen_planes_refined0.0030.02116796
X-RAY DIFFRACTIONr_gen_planes_other
X-RAY DIFFRACTIONr_nbd_refined
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it5.387413575
X-RAY DIFFRACTIONr_mcbond_other
X-RAY DIFFRACTIONr_mcangle_it7.122622040
X-RAY DIFFRACTIONr_scbond_it7.10748924
X-RAY DIFFRACTIONr_scangle_it9.2368365
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
LS refinement shellResolution: 2.29→2.349 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.304 192 -
Rwork0.225 3707 -
obs--32.57 %
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)
13.23482.39920.05361.92190.05960.02110.2236-0.51120.21270.2069-0.2177-0.0428-0.08220.065-0.00590.6491-0.07050.00520.658-0.01390.467246.816155.8169255.3159
22.93520.75160.62282.01470.35932.4363-0.076-0.23240.08150.0202-0.04640.23230.0182-0.33440.12240.55060.06620.07170.4850.01310.46572.081445.4123243.4625
36.3037-1.4849-0.32483.5453-1.7052.0679-0.1867-0.76920.45030.6646-0.0384-0.4609-0.41270.33510.22510.55290.0241-0.05560.5252-0.01370.416425.997352.2701249.8193
46.00380.7979-1.84253.07010.75544.6429-0.0926-0.57760.1210.5392-0.04050.73970.0875-0.57710.1330.60120.11560.03880.5556-0.01390.5657-5.86549.7097243.3687
51.21880.17280.20661.46390.20021.2275-0.0816-0.17810.24790.11580.0365-0.0982-0.26380.11460.0450.49770.0082-0.05610.4915-0.01080.446925.704958.7326239.9456
62.935-2.1964-0.98545.7971.81081.26940.05560.27230.2334-0.4376-0.0577-0.2414-0.27690.0720.00220.5715-0.034-0.08590.49330.01830.421923.235866.5813230.5205
76.5641-2.96993.48135.3369-4.05318.906-0.08590.03990.20920.1745-0.1723-0.47-0.0450.44030.25820.439-0.04070.01540.5299-0.03920.480143.647635.4281221.6051
84.0619-1.36981.85881.807-0.84952.56220.02310.30640.2628-0.116-0.15-0.0673-0.07240.13010.12690.4987-0.03340.03220.4672-0.01390.465327.280344.8177221.7031
91.1707-0.41150.92460.7712-0.4712.4782-0.0751-0.21180.11780.2292-0.0096-0.2077-0.09650.26550.08480.50960.0041-0.01160.55950.01020.548642.556236.9769243.2803
100.94960.28731.12744.42431.08121.67660.0276-0.1569-0.07960.74170.1559-0.74840.23620.2796-0.18350.4530.0833-0.18950.95290.09790.325349.949235.4231258.2994
113.31731.50012.25293.13912.44015.2616-0.062-0.33180.34030.2441-0.0541-0.2701-0.35380.23980.11610.50720.0287-0.0280.53420.04280.461641.881842.9778245.6066
120.6646-0.3718-0.50660.63530.771.35090.01980.00620.0342-0.0183-0.0074-0.0346-0.07670.0206-0.01240.419-0.0017-0.0120.41360.0190.434518.23233.328210.4389
130.34140.10350.33570.58381.14242.7168-0.06550.04030.071-0.03060.0084-0.0449-0.11980.15050.05710.45040.00580.02190.46030.02960.473619.750318.8724196.463
140.11390.0732-0.31820.33650.02032.1708-0.03110.02880.00670.00970.00980.06530.0183-0.15480.02130.46220.01060.02630.4532-0.00940.473516.145610.1941176.2515
1532.4065-5.4632-35.19055.84457.402938.73451.03871.4793-0.3831-0.0521-1.37290.3963-1.1272-1.74660.33420.15410.09040.0791.2314-0.34910.53913.016818.6834168.9379
160.44770.50330.36432.86251.78073.6798-0.0115-0.03740.08970.0298-0.1060.3926-0.2384-0.36330.11760.44060.01330.02010.49250.01650.499720.109918.414176.1732
170.4978-0.0427-0.22050.4233-0.36772.0423-0.04730.1221-0.0188-0.0644-0.01040.18720.0016-0.52650.05770.4927-0.02070.00920.5752-0.03840.52497.011-0.5446142.5086
180.6684-0.03520.40830.9609-0.3731.84060.08620.0049-0.17410.0703-0.0654-0.19620.32260.2515-0.02080.51250.00210.05480.4356-0.01410.455831.535-5.8186171.8597
190.8184-0.26320.03730.69560.45221.291-0.00640.09590.0357-0.1192-0.02510.0617-0.0339-0.11770.03150.4009-0.0127-0.00150.4507-0.00790.425213.65180.8359139.8172
201.97783.80434.435911.016110.840212.41680.2773-0.0455-0.43830.637-0.0005-0.0711.073-0.3326-0.27680.5304-0.07810.06420.58060.01190.584617.2326-25.7441136.7234
219.67420.787-0.6478.8236-2.63482.9182-0.00760.8035-1.0559-0.75070.07510.03040.5465-0.1312-0.06740.54870.0671-0.00430.5045-0.0050.498547.3266-39.7244110.2064
224.30080.022-0.85531.37670.06452.08260.1732-0.28330.57930.15210.0709-0.5129-0.2580.7615-0.24410.49260.00370.04460.6561-0.06390.548470.786-16.4851120.3789
234.7014-0.19492.25841.30920.37533.37470.08770.1975-0.0203-0.07190.0884-0.76470.03590.9844-0.17610.44360.11780.1130.6689-0.08770.632477.9874-23.9562116.6649
241.94720.31290.29050.82220.20040.7222-0.00780.1551-0.1656-0.10670.0286-0.06990.09430.0948-0.02080.49230.00870.02930.4468-0.00620.423648.7492-28.2539107.5174
255.9737-1.84173.59464.2201-1.23535.78750.11730.2439-0.23320.03780.0239-0.57190.4690.8306-0.14130.43750.0510.09040.5821-0.06830.497274.8546-25.6326111.7079
261.1003-0.1558-0.04580.77190.20590.71940.03840.1624-0.0115-0.1297-0.031-0.0437-0.0293-0.0086-0.00730.4778-0.00570.00570.43310.00550.412239.5909-15.5789107.7619
277.8113.530812.179723.707521.200319.0355-0.22290.3051-0.3979-0.97660.8613-0.8548-0.61180.5665-0.63841.3935-0.3570.40450.7611-0.08380.491150.4916-9.87789.7673
281.1030.1748-0.35570.8492-0.13540.67530.020.06170.0807-0.03640.00980.0026-0.0525-0.0395-0.02980.4391-0.0032-0.0040.4301-0.01080.419933.9182-8.5702119.3767
291.09630.24310.08331.60580.48781.3112-0.00640.042-0.0245-0.0009-0.00230.09540.0955-0.06690.00870.46580.03630.01120.51810.01620.456630.5214-19.9117125.5859
302.1657-0.1909-0.35681.8991-0.07572.8228-0.05010.0876-0.38450.0185-0.00960.0820.4812-0.12070.05970.5092-0.03420.0090.4128-0.00080.524631.1063-39.9198117.1737
3110.51865.1878-1.88088.58-6.53927.9134-0.0580.1957-0.7054-0.2561-0.0222-0.22510.56540.20680.08020.49690.01860.00640.4424-0.01950.441937.9107-23.372127.5591
320.5209-0.5021-0.75841.23061.47452.32190.0615-0.01610.0663-0.13280.0464-0.1365-0.13020.0584-0.10780.4163-0.02530.01770.44590.01440.44143.8081-2.1528142.8676
332.94613.7754-3.62924.856-4.66074.48360.13060.03550.34280.17790.19590.4251-0.2203-0.1096-0.32650.80910.152-0.38841.0434-0.00371.015423.938533.1594166.9092
340.2997-0.0544-0.13431.07150.51231.146-0.0044-0.00560.0320.04050.0276-0.0015-0.03650.0378-0.02320.4168-0.0180.0340.45060.01620.417939.10942.0912152.4579
351.94961.38181.98183.41062.95533.71820.00430.056-0.14380.04010.00610.05120.18120.0113-0.01050.4589-0.00310.04870.48930.01620.436937.42783.4389164.4582
361.25460.2802-0.00561.9350.29031.5960.00360.01470.0380.00320.0234-0.1253-0.01530.1617-0.0270.43480.00620.00920.50040.01980.414748.505814.9139180.5021
372.01040.63861.75711.21611.0952.55590.0166-0.24940.10960.25390.024-0.31150.1020.264-0.04060.47250.033-0.00390.57840.01380.436557.715915.9758202.3668
388.10991.49670.54674.87610.91495.7541-0.0142-0.756-0.15730.8387-0.0893-0.50710.04980.22170.10350.6493-0.00470.02430.4152-0.00610.494638.1793-4.2977194.2186
391.20780.90450.5591.53431.57821.94440.1091-0.1202-0.23810.24580.078-0.32630.40190.3392-0.18710.49120.0396-0.0170.55660.03940.439855.04611.7128202.9591
401.7864-0.8581-0.03581.14380.40462.4402-0.0312-0.09190.00560.13380.041-0.06080.02460.1796-0.00970.4401-0.01430.0010.5060.01570.446346.726221.9271208.4993
410.27270.84590.4463.20111.53910.7722-0.063-0.15080.13050.1337-0.11580.23990.0111-0.1520.17870.98950.29490.20820.74930.17960.490929.573129.7919261.6386
423.75313.57274.46034.51862.93666.8499-0.1583-0.14120.1626-0.0495-0.09120.1201-0.385-0.1810.24960.5380.01680.04280.51160.06510.393726.766719.3025253.314
434.0285-1.62315.44913.96625.081823.3685-0.04960.14210.1557-0.1873-0.2701-0.0063-0.5151-0.21260.31970.48650.01510.02860.48480.05190.611121.898512.8403239.0589
448.26343.44486.25737.84613.800414.2426-0.1548-0.03070.46870.043-0.1330.3524-0.4473-0.61770.28780.51110.020.05950.45170.0120.423418.54157.0035226.3968
453.5261-0.17972.02897.32663.63268.8317-0.0043-0.3741-0.27760.4468-0.20870.23360.4435-0.45510.21310.5702-0.01750.09170.49320.05520.436215.2378-2.5204214.4242
467.858513.80311.884931.9097-7.906816.89330.2769-0.49910.74290.4722-0.48831.30690.2164-0.73150.21130.7415-0.00050.21480.59120.12920.515913.608-9.8188205.2128
474.8817-0.23453.75415.93221.451614.13990.23890.1747-0.7206-0.0350.15750.16530.7061-0.3584-0.39640.9159-0.10490.12940.34080.01890.403315.1362-15.726192.0195
486.6374-8.7655.7409239.41691.6625.3489-1.0788-5.2312-1.6047-9.21132.1969.9822-1.2474-4.6536-1.11721.76761.3284-0.00335.07080.70710.90258.106-12.1192182.232
493.2762-3.59773.20111.60637.579623.35690.36380.2452-0.6827-0.7214-0.98831.28970.8083-1.16190.62460.6113-0.4101-0.0140.6819-0.09890.58941.0099-1.2126184.6205
500.08650.59870.53928.3678.43339.2244-0.14740.01730.0201-0.1535-0.34630.5507-0.1378-0.48630.49370.5003-0.01960.0460.5211-0.01280.43638.955914.4988206.1358
516.5308-3.5621-3.14086.85962.95399.2779-0.374-0.2415-0.34750.36030.12720.06780.70830.33240.24680.5327-0.02820.06190.51450.06410.50887.778422.2674231.0358
523.8698-2.0785-1.03832.43462.36222.9067-0.440.6626-0.26570.1141-0.24520.6391-0.0028-0.35260.68520.4628-0.0983-0.04750.84390.03420.533-13.368634.9192227.8537
531.5957-1.4552-4.16091.77223.044912.4501-0.00720.1957-0.24080.0974-0.03040.41740.1657-0.75650.03760.45410.00730.00570.5440.01730.5366-1.414234.5975220.2983
543.13581.183-0.7569.3106-8.97620.31040.18220.94060.5977-0.9185-0.20530.2262-0.3721-0.39870.02310.49930.1318-0.08660.71770.12060.42212.430438.473198.6456
550.7835-4.20980.335622.7067-1.81190.1486-0.23390.00010.10031.16280.2251-0.4057-0.07190.02090.00880.64090.0479-0.16541.0740.15310.30782.920745.4407182.6988
561.0072-0.46850.88190.2472-0.47030.89920.50320.1397-0.2127-0.0708-0.17320.15650.08950.3077-0.331.4698-0.1450.09880.855-0.42740.42310.39558.5019167.7376
578.4608-12.7813-9.839720.957816.288812.7835-0.09690.7935-0.1019-0.1496-0.96541.26280.1233-1.14111.06230.7911-0.9571-0.13341.82160.32030.8603-0.37543.881173.9898
583.571714.4202-0.947194.668213.51538.77410.09740.27990.52760.7262-0.72182.92030.3449-1.3430.62440.25-0.06840.26931.1529-0.57760.8332-0.884210.8916181.1717
598.14876.33956.957516.38369.13167.15120.16860.7381-0.4352-0.4161-0.09790.53850.01010.3841-0.07070.6287-0.30090.16420.6292-0.32410.53-2.528917.9381194.6764
603.7067-3.0839-5.385110.1837-2.797816.25890.44120.91560.6566-1.2814-0.4497-0.67740.0917-1.0680.00850.45230.02-0.06710.86520.26140.7196.99330.5942196.69
618.5244-7.01075.02395.7783-4.13032.9625-0.61290.27181.46790.5854-0.2452-1.1454-0.3160.16630.85821.41960.13260.01741.0570.02110.69242.334125.7331263.2652
6226.409511.9546-2.03347.44713.29088.97710.491-1.1277-0.66380.7383-0.2883-0.51510.92150.5102-0.20260.57660.1137-0.05310.61750.07780.518440.099423.2667257.2617
639.2766-7.9353-4.96769.71869.990413.9170.2343-0.11440.3508-0.06460.3244-0.51750.12550.4745-0.55870.50950.0107-0.00240.53390.08170.479737.823420.2845251.696
6418.6329-2.04698.49540.6147-3.038815.2948-0.2303-0.18681.16330.0503-0.0983-0.1094-0.13490.63670.32860.51170.0497-0.02370.5227-0.00210.632636.111518.0887244.8744
655.32683.72695.18357.2652-3.529419.1197-0.2228-0.07990.5975-0.0984-0.1405-0.4174-0.60860.67020.36330.48660.00860.0950.5463-0.13671.012932.337716.2447236.9822
666.22842.38782.765.15676.302414.1636-0.04670.12380.692-0.08710.02920.1448-0.7878-0.34240.01750.54550.01270.02630.49190.06170.424728.467112.4388227.3215
6710.13653.7215-1.83066.28171.848628.8429-0.32-0.0623-0.21810.1279-0.1028-0.52330.54550.77480.42280.52250.00590.03610.44120.05340.457925.06729.0158219.1122
683.23931.65942.0015.7520.854913.5829-0.02460.13870.1291-0.33980.008-0.44030.37540.41930.01670.51030.01660.05550.45070.04030.441922.3725.6142210.493
690.51610.640.84568.9518-1.30635.9494-0.0393-0.06250.0137-0.3068-0.0749-0.2610.27090.14860.11430.4901-0.00480.05490.46050.04110.430317.26981.5057202.6529
7015.53154.963910.841830.64475.925513.9016-0.2687-0.97770.26970.748-0.04340.72040.5009-0.78860.31210.5135-0.00170.04620.44940.01430.437913.0412-2.3346196.2901
7155.0951-29.2-10.359619.58463.46032.9756-2.09413.28660.91271.52742.1775-0.31180.2268-2.5634-0.08340.34560.2550.023.89720.0490.77135.4646-4.7659191.7762
728.1267-7.3094-0.116120.836910.987811.79780.06130.4554-0.9610.9812-0.12170.29871.14950.01840.06040.6691-0.03810.10790.44570.07980.390921.8578-8.8415223.6817
7310.08312.28760.88917.68422.888212.04710.31320.393-0.73890.0851-0.3243-0.14481.0885-0.11810.01120.5823-0.01640.07230.4710.05180.396518.9518-3.1246231.6617
746.76610.0318-4.673115.42255.954812.6464-0.08890.2241-0.0389-0.1164-0.20870.96220.5585-0.95610.29760.5478-0.01720.04420.55240.06450.423717.71185.199241.4053
7510.3825-3.0428-5.672523.544111.6529.6722-0.17590.0225-0.23530.1915-0.29651.62370.7719-1.37090.47250.5242-0.0310.08910.48710.02580.450219.08849.0086250.1217
765.45462.80494.0362.07224.51313.0839-0.1450.07670.10580.0458-0.16850.10060.3569-0.1610.31350.5589-0.00480.05020.58780.03040.408422.174214.5118259.12
775.9535-4.862-1.26237.4097.00510.859-1.0402-0.36411.11210.9250.6796-0.61080.05720.8310.36050.7304-0.0571-0.13010.79880.12460.462926.430115.9251266.8419
781.2628-5.85183.255435.8143-1.726528.96530.06540.05610.06530.7618-0.0212-0.41651.76960.6636-0.04420.54140.0563-0.00420.99210.37470.504631.016311.2809262.2433
792.1225-0.5693-2.98430.16831.218519.2094-0.0767-0.0844-0.29670.06670.0290.09930.605-0.00410.04770.60870.0363-0.01640.54590.09640.4930.61069.4582251.9482
800.6670.27792.10973.22935.278313.14780.1735-0.0488-0.07550.0051-0.0078-0.21960.5485-0.0434-0.16570.56290.04040.04760.45260.05570.482528.65562.822235.4375
8119.2377-4.83252.56665.56863.311623.7297-0.1101-0.5827-0.37460.24740.2085-0.34590.26370.9611-0.09840.584-0.00370.05430.48110.03890.383527.7527-0.4089222.14
822.41561.3935-3.00072.9013-0.23344.9112-0.09730.1029-0.06090.12490.0401-0.3420.3597-0.23740.05730.59490.03240.10870.4923-0.01490.473625.171-3.2296214.4994
8315.3346-0.5299.264414.72736.815227.3589-0.2192-0.33050.10170.529-0.207-0.57640.42720.98640.42620.61570.03260.06390.4660.03870.431226.2291-5.4642206.5815
841.60010.63340.62182.8133.4399.7522-0.0487-0.02450.04390.09950.0658-0.15740.01820.2741-0.01710.5176-0.00160.05130.41930.03410.425121.2755-8.5451190.3865
852.20250.482-0.41860.2059-1.083110.7476-0.20680.0898-0.1285-0.07170.04420.01440.7202-0.53360.16260.5714-0.04840.10880.4537-0.0420.541317.6742-11.1449172.5213
8642.5453-2.7207-15.95650.30640.47238.28650.02090.2359-0.99950.0521-0.05230.1344-0.1652-0.03420.03140.65960.01010.040.4978-0.06140.506633.0139-14.6012160.8974
874.8937-3.0174-0.27041.9255-0.30693.7681-0.0898-0.26290.09250.03580.1148-0.09550.3680.4433-0.0250.53430.03110.01920.55030.02770.493749.5491-20.5766151.0636
8810.1187.37386.50215.91296.605510.76390.2269-0.2761-1.19510.6620.12-0.78751.73320.8305-0.34690.67320.3034-0.05260.58230.02260.450860.6082-30.4034137.8004
8913.38063.1832-1.47183.45746.571319.32710.10830.1186-0.14280.51290.0974-0.15581.2854-0.8929-0.20580.60240.0177-0.00830.82450.09020.573963.5447-33.719124.8978
9012.61052.7673-3.51052.7370.41744.5116-0.0198-0.2296-0.50380.2170.001-0.04380.56530.12270.01880.56360.0736-0.03080.41070.02050.502451.1723-41.9695118.966
9138.21-1.4206-10.64614.8632-8.966921.18991.17141.6269-3.1464-0.2628-0.86790.71830.09531.1094-0.30350.58130.11580.00620.2571-0.09621.098144.5395-48.6599115.7307
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A5 - 68
2X-RAY DIFFRACTION2A69 - 147
3X-RAY DIFFRACTION3A148 - 171
4X-RAY DIFFRACTION4A172 - 216
5X-RAY DIFFRACTION5A217 - 313
6X-RAY DIFFRACTION6A314 - 346
7X-RAY DIFFRACTION7A347 - 381
8X-RAY DIFFRACTION8A382 - 442
9X-RAY DIFFRACTION9A443 - 521
10X-RAY DIFFRACTION10A522 - 571
11X-RAY DIFFRACTION11A578 - 617
12X-RAY DIFFRACTION12A618 - 738
13X-RAY DIFFRACTION13A739 - 799
14X-RAY DIFFRACTION14A800 - 873
15X-RAY DIFFRACTION15A874 - 878
16X-RAY DIFFRACTION16A879 - 921
17X-RAY DIFFRACTION17A922 - 981
18X-RAY DIFFRACTION18A982 - 1094
19X-RAY DIFFRACTION19A1095 - 1222
20X-RAY DIFFRACTION20A1223 - 1247
21X-RAY DIFFRACTION21B7 - 21
22X-RAY DIFFRACTION22B22 - 61
23X-RAY DIFFRACTION23B62 - 103
24X-RAY DIFFRACTION24B104 - 150
25X-RAY DIFFRACTION25B151 - 186
26X-RAY DIFFRACTION26B187 - 313
27X-RAY DIFFRACTION27B314 - 320
28X-RAY DIFFRACTION28B321 - 389
29X-RAY DIFFRACTION29B390 - 449
30X-RAY DIFFRACTION30B450 - 528
31X-RAY DIFFRACTION31B529 - 538
32X-RAY DIFFRACTION32B539 - 638
33X-RAY DIFFRACTION33B639 - 661
34X-RAY DIFFRACTION34B662 - 731
35X-RAY DIFFRACTION35B732 - 769
36X-RAY DIFFRACTION36B770 - 853
37X-RAY DIFFRACTION37B854 - 929
38X-RAY DIFFRACTION38B930 - 960
39X-RAY DIFFRACTION39B961 - 1017
40X-RAY DIFFRACTION40B1018 - 1121
41X-RAY DIFFRACTION41D21 - 27
42X-RAY DIFFRACTION42D28 - 39
43X-RAY DIFFRACTION43D40 - 49
44X-RAY DIFFRACTION44D50 - 59
45X-RAY DIFFRACTION45D60 - 70
46X-RAY DIFFRACTION46D71 - 75
47X-RAY DIFFRACTION47D76 - 86
48X-RAY DIFFRACTION48D87 - 91
49X-RAY DIFFRACTION49D92 - 100
50X-RAY DIFFRACTION50D101 - 113
51X-RAY DIFFRACTION51D114 - 131
52X-RAY DIFFRACTION52D132 - 145
53X-RAY DIFFRACTION53D146 - 160
54X-RAY DIFFRACTION54D161 - 176
55X-RAY DIFFRACTION55D177 - 183
56X-RAY DIFFRACTION56D184 - 221
57X-RAY DIFFRACTION57D222 - 228
58X-RAY DIFFRACTION58D229 - 234
59X-RAY DIFFRACTION59D235 - 250
60X-RAY DIFFRACTION60D251 - 264
61X-RAY DIFFRACTION61E10 - 13
62X-RAY DIFFRACTION62E14 - 18
63X-RAY DIFFRACTION63E19 - 22
64X-RAY DIFFRACTION64E23 - 28
65X-RAY DIFFRACTION65E29 - 34
66X-RAY DIFFRACTION66E35 - 42
67X-RAY DIFFRACTION67E43 - 47
68X-RAY DIFFRACTION68E48 - 54
69X-RAY DIFFRACTION69E55 - 61
70X-RAY DIFFRACTION70E62 - 66
71X-RAY DIFFRACTION71E67 - 73
72X-RAY DIFFRACTION72F0 - 8
73X-RAY DIFFRACTION73F9 - 16
74X-RAY DIFFRACTION74F17 - 24
75X-RAY DIFFRACTION75F25 - 29
76X-RAY DIFFRACTION76F30 - 37
77X-RAY DIFFRACTION77F38 - 44
78X-RAY DIFFRACTION78F45 - 49
79X-RAY DIFFRACTION79F50 - 58
80X-RAY DIFFRACTION80F59 - 72
81X-RAY DIFFRACTION81F73 - 77
82X-RAY DIFFRACTION82F78 - 83
83X-RAY DIFFRACTION83F84 - 89
84X-RAY DIFFRACTION84F90 - 104
85X-RAY DIFFRACTION85F105 - 114
86X-RAY DIFFRACTION86F115 - 120
87X-RAY DIFFRACTION87F121 - 130
88X-RAY DIFFRACTION88F131 - 135
89X-RAY DIFFRACTION89F136 - 139
90X-RAY DIFFRACTION90F140 - 149
91X-RAY DIFFRACTION91F150 - 155

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