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- PDB-6axg: Structure of RasGRP4 in complex with HRas -

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Basic information

Entry
Database: PDB / ID: 6axg
TitleStructure of RasGRP4 in complex with HRas
Components
  • GTPase HRas
  • RAS guanyl-releasing protein 4
KeywordsSIGNALING PROTEIN
Function / homology
Function and homology information


positive regulation of natural killer cell mediated immunity / diacylglycerol binding / antibacterial innate immune response / myeloid cell differentiation / phospholipase C activator activity / GTPase complex / oncogene-induced cell senescence / positive regulation of miRNA metabolic process / positive regulation of ruffle assembly / T-helper 1 type immune response ...positive regulation of natural killer cell mediated immunity / diacylglycerol binding / antibacterial innate immune response / myeloid cell differentiation / phospholipase C activator activity / GTPase complex / oncogene-induced cell senescence / positive regulation of miRNA metabolic process / positive regulation of ruffle assembly / T-helper 1 type immune response / positive regulation of wound healing / defense response to protozoan / regulation of neurotransmitter receptor localization to postsynaptic specialization membrane / Signaling by RAS GAP mutants / Signaling by RAS GTPase mutants / Activation of RAS in B cells / RAS signaling downstream of NF1 loss-of-function variants / SOS-mediated signalling / Activated NTRK3 signals through RAS / Activated NTRK2 signals through RAS / SHC1 events in ERBB4 signaling / positive regulation of protein targeting to membrane / Signalling to RAS / adipose tissue development / Activated NTRK2 signals through FRS2 and FRS3 / SHC-related events triggered by IGF1R / Estrogen-stimulated signaling through PRKCZ / Schwann cell development / SHC-mediated cascade:FGFR3 / MET activates RAS signaling / SHC-mediated cascade:FGFR2 / Signaling by PDGFRA transmembrane, juxtamembrane and kinase domain mutants / Signaling by PDGFRA extracellular domain mutants / PTK6 Regulates RHO GTPases, RAS GTPase and MAP kinases / SHC-mediated cascade:FGFR4 / Erythropoietin activates RAS / Signaling by FGFR4 in disease / SHC-mediated cascade:FGFR1 / FRS-mediated FGFR3 signaling / Signaling by FLT3 ITD and TKD mutants / FRS-mediated FGFR2 signaling / FRS-mediated FGFR4 signaling / protein-membrane adaptor activity / Signaling by FGFR3 in disease / p38MAPK events / FRS-mediated FGFR1 signaling / Tie2 Signaling / Signaling by FGFR2 in disease / EPHB-mediated forward signaling / GRB2 events in EGFR signaling / SHC1 events in EGFR signaling / myelination / Signaling by FLT3 fusion proteins / FLT3 Signaling / EGFR Transactivation by Gastrin / Signaling by FGFR1 in disease / NCAM signaling for neurite out-growth / CD209 (DC-SIGN) signaling / GRB2 events in ERBB2 signaling / Downstream signal transduction / Ras activation upon Ca2+ influx through NMDA receptor / intrinsic apoptotic signaling pathway / SHC1 events in ERBB2 signaling / Insulin receptor signalling cascade / Constitutive Signaling by Overexpressed ERBB2 / Signaling by phosphorylated juxtamembrane, extracellular and kinase domain KIT mutants / guanyl-nucleotide exchange factor activity / VEGFR2 mediated cell proliferation / animal organ morphogenesis / positive regulation of epithelial cell proliferation / small monomeric GTPase / regulation of actin cytoskeleton organization / FCERI mediated MAPK activation / positive regulation of JNK cascade / RAF activation / Signaling by ERBB2 TMD/JMD mutants / regulation of long-term neuronal synaptic plasticity / Signaling by high-kinase activity BRAF mutants / cellular response to gamma radiation / Signaling by SCF-KIT / Constitutive Signaling by EGFRvIII / MAP2K and MAPK activation / FCERI mediated NF-kB activation / Signaling by ERBB2 ECD mutants / Signaling by ERBB2 KD Mutants / RAS processing / Regulation of RAS by GAPs / Negative regulation of MAPK pathway / cytoplasmic side of plasma membrane / positive regulation of type II interferon production / endocytosis / positive regulation of fibroblast proliferation / chemotaxis / Signaling by RAF1 mutants / Signaling by moderate kinase activity BRAF mutants / Paradoxical activation of RAF signaling by kinase inactive BRAF / Signaling downstream of RAS mutants / GDP binding / Signaling by BRAF and RAF1 fusions / cellular senescence
Similarity search - Function
Son of sevenless (SoS) protein; Chain S, domain 1 / Son of sevenless (SoS) protein Chain: S domain 1 / Son of Sevenless (SoS) protein; Chain S, domain 2 / Ras guanine-nucleotide exchange factors catalytic domain / Ras-like guanine nucleotide exchange factor, N-terminal / Ras-like guanine nucleotide exchange factor / Ras guanine-nucleotide exchange factors N-terminal domain profile. / Ras guanine nucleotide exchange factor domain superfamily / Ras guanine-nucleotide exchange factor, catalytic domain superfamily / RasGEF domain ...Son of sevenless (SoS) protein; Chain S, domain 1 / Son of sevenless (SoS) protein Chain: S domain 1 / Son of Sevenless (SoS) protein; Chain S, domain 2 / Ras guanine-nucleotide exchange factors catalytic domain / Ras-like guanine nucleotide exchange factor, N-terminal / Ras-like guanine nucleotide exchange factor / Ras guanine-nucleotide exchange factors N-terminal domain profile. / Ras guanine nucleotide exchange factor domain superfamily / Ras guanine-nucleotide exchange factor, catalytic domain superfamily / RasGEF domain / Ras guanine-nucleotide exchange factors catalytic domain profile. / Guanine nucleotide exchange factor for Ras-like small GTPases / Ras guanine-nucleotide exchange factors catalytic domain / Diacylglycerol/phorbol-ester binding / Phorbol esters/diacylglycerol binding domain (C1 domain) / Zinc finger phorbol-ester/DAG-type signature. / Zinc finger phorbol-ester/DAG-type profile. / Protein kinase C conserved region 1 (C1) domains (Cysteine-rich domains) / Protein kinase C-like, phorbol ester/diacylglycerol-binding domain / C1-like domain superfamily / Small GTPase, Ras-type / Small GTPase Ras domain profile. / Rho (Ras homology) subfamily of Ras-like small GTPases / Ras subfamily of RAS small GTPases / Small GTPase / Ras family / Rab subfamily of small GTPases / EF-hand calcium-binding domain profile. / EF-hand domain / Small GTP-binding protein domain / P-loop containing nucleotide triphosphate hydrolases / Up-down Bundle / Rossmann fold / P-loop containing nucleoside triphosphate hydrolase / Orthogonal Bundle / 3-Layer(aba) Sandwich / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
GTPase HRas / RAS guanyl-releasing protein 4
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.302 Å
AuthorsKondo, Y. / Iwig, J.S. / Kuriyan, J.
CitationJournal: Elife / Year: 2017
Title: A histidine pH sensor regulates activation of the Ras-specific guanine nucleotide exchange factor RasGRP1.
Authors: Vercoulen, Y. / Kondo, Y. / Iwig, J.S. / Janssen, A. / White, K.A. / Amini, M. / Barber, D.L. / Kuriyan, J. / Roose, J.P.
History
DepositionSep 6, 2017Deposition site: RCSB / Processing site: RCSB
Revision 1.0Oct 11, 2017Provider: repository / Type: Initial release
Revision 1.1Oct 4, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: RAS guanyl-releasing protein 4
B: GTPase HRas
C: RAS guanyl-releasing protein 4
D: GTPase HRas
E: RAS guanyl-releasing protein 4
F: GTPase HRas
G: RAS guanyl-releasing protein 4
H: GTPase HRas
I: RAS guanyl-releasing protein 4
J: GTPase HRas
K: RAS guanyl-releasing protein 4
L: GTPase HRas


Theoretical massNumber of molelcules
Total (without water)395,19512
Polymers395,19512
Non-polymers00
Water00
1
A: RAS guanyl-releasing protein 4
B: GTPase HRas


Theoretical massNumber of molelcules
Total (without water)65,8662
Polymers65,8662
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3080 Å2
ΔGint-9 kcal/mol
Surface area23630 Å2
MethodPISA
2
C: RAS guanyl-releasing protein 4
D: GTPase HRas


Theoretical massNumber of molelcules
Total (without water)65,8662
Polymers65,8662
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3420 Å2
ΔGint-9 kcal/mol
Surface area23670 Å2
MethodPISA
3
E: RAS guanyl-releasing protein 4
F: GTPase HRas


Theoretical massNumber of molelcules
Total (without water)65,8662
Polymers65,8662
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3320 Å2
ΔGint-8 kcal/mol
Surface area24150 Å2
MethodPISA
4
G: RAS guanyl-releasing protein 4
H: GTPase HRas


Theoretical massNumber of molelcules
Total (without water)65,8662
Polymers65,8662
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3340 Å2
ΔGint-6 kcal/mol
Surface area23720 Å2
MethodPISA
5
I: RAS guanyl-releasing protein 4
J: GTPase HRas


Theoretical massNumber of molelcules
Total (without water)65,8662
Polymers65,8662
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3150 Å2
ΔGint-7 kcal/mol
Surface area23560 Å2
MethodPISA
6
K: RAS guanyl-releasing protein 4
L: GTPase HRas


Theoretical massNumber of molelcules
Total (without water)65,8662
Polymers65,8662
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3190 Å2
ΔGint-7 kcal/mol
Surface area23510 Å2
MethodPISA
Unit cell
Length a, b, c (Å)114.105, 114.105, 680.872
Angle α, β, γ (deg.)90.00, 90.00, 120.00
Int Tables number153
Space group name H-MP3212

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Components

#1: Protein
RAS guanyl-releasing protein 4


Mass: 46660.285 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: RASGRP4 / Production host: Escherichia coli (E. coli) / References: UniProt: Q8TDF6
#2: Protein
GTPase HRas / H-Ras-1 / Ha-Ras / Transforming protein p21 / c-H-ras / p21ras


Mass: 19205.596 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: HRAS, HRAS1 / Production host: Escherichia coli (E. coli) / References: UniProt: P01112

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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: 3.24 Å3/Da / Density % sol: 62.01 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / Details: 20% PEG3350 and 300 mM sodium thiocyanate

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 8.2.1 / Wavelength: 1 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Feb 11, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.3→49.21 Å / Num. obs: 76133 / % possible obs: 98.7 % / Redundancy: 9.2 % / CC1/2: 0.968 / Rmerge(I) obs: 0.224 / Net I/σ(I): 8.3
Reflection shellResolution: 3.3→3.37 Å / Rmerge(I) obs: 0.612 / Mean I/σ(I) obs: 1.9 / CC1/2: 0.521

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Processing

Software
NameVersionClassification
PHENIX(1.12_2829: ???)refinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4l9m

4l9m


Resolution: 3.302→49.21 Å / Cross valid method: FREE R-VALUE / σ(F): 105.97 / Phase error: 37.99
RfactorNum. reflection% reflection
Rfree0.2602 3814 5.06 %
Rwork0.2273 --
obs0.2295 76133 98.65 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Refinement stepCycle: LAST / Resolution: 3.302→49.21 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms23168 0 0 0 23168
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00323601
X-RAY DIFFRACTIONf_angle_d0.77631966
X-RAY DIFFRACTIONf_dihedral_angle_d6.94114207
X-RAY DIFFRACTIONf_chiral_restr0.0453631
X-RAY DIFFRACTIONf_plane_restr0.0054130
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.3025-3.35940.30492120.2843467X-RAY DIFFRACTION89
3.3594-3.42050.35811490.29863383X-RAY DIFFRACTION91
3.4205-3.48620.30731870.28843481X-RAY DIFFRACTION91
3.4862-3.55740.28652040.27263495X-RAY DIFFRACTION91
3.5574-3.63470.35591940.33485X-RAY DIFFRACTION92
3.6347-3.71920.37231890.34093527X-RAY DIFFRACTION93
3.7192-3.81210.31941880.24353656X-RAY DIFFRACTION94
3.8121-3.91510.35521350.28773634X-RAY DIFFRACTION96
3.9151-4.03030.26611980.23223612X-RAY DIFFRACTION95
4.0303-4.16030.23161860.22513603X-RAY DIFFRACTION95
4.1603-4.30880.24962010.21623644X-RAY DIFFRACTION95
4.3088-4.48120.22781820.20923672X-RAY DIFFRACTION95
4.4812-4.68490.21491610.19923683X-RAY DIFFRACTION96
4.6849-4.93160.23332120.19583662X-RAY DIFFRACTION95
4.9316-5.24010.25512040.20413644X-RAY DIFFRACTION95
5.2401-5.6440.25142010.2233673X-RAY DIFFRACTION95
5.644-6.21050.27671910.24393676X-RAY DIFFRACTION95
6.2105-7.1060.24792260.22793703X-RAY DIFFRACTION94
7.106-8.94050.2071900.17693732X-RAY DIFFRACTION95
8.9405-44.05520.21912030.19033861X-RAY DIFFRACTION95
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)
16.5943-0.06382.41.17880.48633.8783-0.2221-0.5892-0.31240.21720.25420.05230.0221-0.43190.05110.6920.5843-0.07261.1958-0.1790.1747326.9722479.7312745.8503
26.72081.60691.86548.16456.32536.7460.05870.75690.0677-1.56490.5085-0.0644-1.0271.3922-0.62281.34610.13310.14230.7334-0.07040.3709330.111481.9374740.7828
31.53661.65671.08542.20880.95320.8735-0.34540.5791-0.1776-0.2810.4071-0.2124-0.2294-0.1135-0.0571.35570.27720.05420.934-0.14230.3689318.3532489.7252742.9973
41.0585-1.56022.51813.4537-3.48526.61490.3045-0.1498-0.1057-0.01660.34040.6541-0.75420.7104-0.72080.75150.05460.15790.9299-0.15490.6074298.1701412.8235705.3308
52.7544-0.57180.85822.75881.27951.897-0.85111.4170.5776-0.2784-0.28120.47220.23680.41870.67090.58470.2126-0.23921.1964-0.15310.7275294.0131402.8103701.4444
61.0790.67480.89888.5366-2.06464.4222-0.8420.5293-0.0671-0.44380.20020.2743-0.08110.46210.44860.4897-0.18670.04240.674-0.28070.561302.4939396.3129700.2178
71.72050.3931-0.08540.6309-0.11110.19850.09970.0635-0.11280.05310.0069-0.0653-0.4358-0.2272-0.01771.18010.0071-0.03710.6293-0.29760.0188331.5218425.1972699.7701
81.5992-0.2332-0.01953.1816-1.26225.2909-0.21440.71810.2534-0.31790.25980.45720.7027-0.02220.09270.46540.0919-0.16071.0245-0.30440.5702310.7554421.1719708.2363
92.73830.53442.68432.5314-0.27442.8395-0.1580.0315-0.37440.23220.2209-0.4993-0.2468-0.03510.02210.57980.1430.04570.3602-0.14250.5928340.0187419.5365697.0105
103.82040.6493-0.3636.83631.07440.22690.04610.6902-0.0923-0.0264-0.15040.60470.8315-0.57760.02520.9999-0.1893-0.27570.6719-0.02780.2679320.0462429.6841723.9259
118.2947-2.6989-2.78957.0936-2.33782.6330.0738-0.57990.56871.25931.6022-0.85150.39910.5512-1.56280.6819-0.2459-0.26010.7854-0.04670.5264325.3421427.9748719.5603
120.48230.48590.12460.69220.25380.2569-0.01690.0904-0.19760.13860.2195-0.12610.04130.47540.24311.29820.3469-0.10311.052-0.2558-0.6656333.4364417.2589725.6876
131.3523-0.29471.57570.538-0.65272.0354-0.0915-0.44530.14230.48650.42110.27810.1614-0.1281-0.13591.0458-0.29690.53820.6462-0.25070.9494325.2135424.259733.8363
140.4506-0.1028-0.56440.28580.10052.73430.15260.4908-0.1799-0.25920.12060.7149-0.0486-1.17680.04770.35030.1534-0.62250.70640.13861.0604298.8553439.7875774.5754
151.1882-0.634-2.0775.6461-0.01974.8194-0.0286-1.0881-0.0760.369-0.3121-0.1381-0.59430.30790.28180.4964-0.28-0.11271.0437-0.03170.5376299.4717452.5396777.7166
162.6604-0.7965-0.06171.2112-0.59630.4985-0.108-0.14960.4445-0.26870.06620.23160.09810.02940.08550.9647-0.1455-0.00920.292-0.15250.4691327.2444438.3569781.0799
171.7888-0.46730.46321.19180.75151.9069-0.0374-0.1412-0.1087-0.23540.12430.1050.4369-0.1481-0.04570.7794-0.25950.02770.3786-0.01460.24331.5656425.9333775.7462
182.03031.2459-0.9693.4874-0.06340.64540.1694-0.2997-0.103-0.0529-0.75690.21530.502-0.54940.53630.8784-0.145-0.01870.67320.02040.473322.0858421.4099754.7116
190.104-0.09590.11620.1035-0.21471.5787-0.1775-0.10980.0873-0.04320.0326-0.014-0.11110.05550.01351.1903-0.24570.13051.0706-0.1869-0.3774333.1814433.9615755.7559
204.4664-3.68950.30284.91810.93895.83330.24570.94370.3747-0.6268-0.5251-0.3467-0.30860.49850.10291.0142-0.2624-0.23121.18710.04450.1811328.6802430.8666744.1674
210.56260.53360.32340.5442-0.04183.29690.3567-0.3456-0.41350.0161-0.0742-0.230.8164-0.1114-0.29360.7609-0.0644-0.12180.90440.37940.4502291.1643444.1315699.6749
224.2894-1.31361.10832.8445-0.46682.16210.52630.3190.4747-0.4225-0.4799-0.6457-0.01190.398-0.06370.40520.0850.06331.0788-0.01030.4066301.9865450.5741696.5054
233.5224-2.75190.72612.7329-0.10530.4420.5164-0.06260.4726-0.2958-0.298-0.3579-0.0306-0.1787-0.1330.6442-0.0770.18510.61110.08430.2851276.462465.8548692.8131
241.3057-0.3285-0.40462.2003-0.26041.02560.0199-0.02180.238-0.2170.10260.2798-0.0166-0.08160.11020.1155-0.29760.02330.37080.21350.6928256.9648474.6658696.7815
250.74840.488-0.74740.393-0.26082.18410.1231-0.3365-0.03030.2129-0.25740.07010.0531-0.05570.15390.55630.20310.28710.9630.1980.1038253.3616465.0091702.91
261.14110.28040.33740.8675-0.3310.5851-0.15640.0373-0.10230.1063-0.0080.18770.3361-0.18330.01360.5665-0.16890.16180.69150.0630.0176270.818462.905700.5656
271.62390.3125-1.32133.0607-0.79672.6234-0.14580.4819-0.0827-0.38620.1701-0.24540.18320.5690.01740.61460.23780.04090.77320.05450.1443266.5816458.3404720.9992
281.3576-0.2467-0.65593.8551-1.17261.28470.24870.32220.7349-0.47540.48990.845-0.1516-0.6547-0.71490.6797-0.02790.47270.90130.59131.5254267.3833447.5908714.7226
291.83640.43850.42284.876-1.00830.5348-0.09160.0864-0.3769-0.04550.33130.47170.6553-0.5258-0.14910.8382-0.42340.05150.966-0.08560.3613259.9911452.1792723.5433
301.9124-0.5268-3.08221.6481.19985.89180.2065-0.01310.237-0.2130.0244-0.3122-0.20550.7868-0.05130.5454-0.19520.02050.60370.1845-0.0119264.1634467.666710.5042
310.74640.04441.92272.85550.53665.0134-0.41540.59240.1637-0.12430.1758-0.1663-0.23120.43310.11470.54-0.16330.18760.75010.08550.2182271.3171466.7545723.6026
324.835-1.491.51371.4232-0.57430.4871-0.40090.2110.17420.1470.18360.2477-0.81770.790.15380.6314-0.17580.04870.6260.03410.2868268.8385475.6344720.438
336.3854-1.0794-0.57820.81960.1750.7393-0.0764-0.42830.94170.37330.017-0.03650.0061-0.16420.34940.69-0.54170.08341.1033-0.39370.3169271.3202472.1345730.2057
342.4985-2.1938-4.07495.16364.83937.1406-0.4464-0.2908-0.24250.73520.54990.26961.23890.7510.01491.1589-0.11220.1340.68050.10080.0978274.7774460.8638730.8655
351.37510.7673-0.21098.3366-2.24936.0170.1737-0.67040.50240.04350.14790.02150.46390.7124-0.38190.532-0.1917-0.05921.53210.03070.578261.4805460.1335730.7906
362.1415-0.10571.57920.3856-0.31511.84780.07140.3828-1.1152-0.23290.4354-1.395-0.54950.3351-0.53050.6284-0.04130.12150.5354-0.22650.9562266.1162426.9013773.7832
374.45660.4494-0.27980.6980.83261.16330.211-0.5990.04420.0140.104-0.8845-0.22390.1246-0.25030.34980.12570.4451.19470.07861.5279256.6657426.1779.4327
380.1877-0.49540.40983.20350.32871.2784-0.0947-0.06490.08860.24130.19080.0699-0.05510.7774-0.0540.3292-0.07030.10781.035-0.05850.3256258.0142463.3031778.8705
390.3411-0.22730.00360.7724-0.00260.7721-0.10070.0692-0.12950.18290.0553-0.0749-0.32940.35070.14680.7741-0.3530.2211.19480.0922-0.1209269.0009460.2986769.4946
401.50030.82660.69822.3831-0.91175.3001-0.13250.421-0.0319-0.1860.00850.42110.28330.3850.07010.2381-0.03880.08930.4826-0.15510.1144252.6787470.9716778.3116
411.2212-0.94641.15692.2960.06361.6764-0.0974-0.2051-0.09530.3739-0.233-0.20590.0453-0.14760.2260.908-0.06370.15680.72770.35050.1731267.293458.4699752.1708
420.6040.28020.03763.77891.0461.29320.10040.1241-0.3303-0.1031-0.0441-0.83340.07890.4893-0.03260.5705-0.05040.09851.16110.27310.2298270.4924460.4178756.6123
431.17031.0457-1.22621.6942-1.50731.5155-0.11830.1103-0.0267-0.30620.1950.0417-0.0540.00780.17020.754-0.2913-0.12820.74880.02-0.2446257.7302458.5719749.7631
440.60890.2485-0.1491.88961.37031.17190.1169-0.04890.00890.5047-0.21820.3745-0.1865-0.2843-0.01750.54190.09160.18760.8210.10490.116251.1404464.9318753.4758
450.0425-0.0441-0.15010.1640.62722.3802-0.0162-0.0386-0.0163-0.05190.09140.039-0.6373-0.32690.09410.5849-0.2739-0.10211.11510.1344-0.0504257.9381467.2058747.1104
460.431-0.56940.73811.8074-0.57351.41610.12160.5371-0.336-0.72570.18751.67380.3993-0.6308-0.23720.4435-0.2226-0.28521.2074-0.14360.8484253.8281455.7196741.584
478.6992-6.6984-1.71075.97481.99682.6616-0.21120.42720.4782-0.85570.1724-1.4013-0.41170.7992-0.07420.4796-0.41570.04211.15750.09590.5104268.088463.5389742.3916
483.14111.6288-1.74871.3122-1.18722.19760.1-0.48480.64380.22220.2091-0.1959-0.24910.7625-0.03320.9935-0.1588-0.66640.8231-0.25541.169323.2637521.0046704.4687
491.12460.88880.19572.7217-0.04380.3651-0.28970.4335-0.0716-0.61850.3825-0.3950.2822-0.157-0.0660.6121-0.8766-0.07470.89-0.09621.0019312.1532528.5805699.7564
500.78180.0455-0.6162.23580.19380.66970.0937-0.00770.3532-0.1125-0.05660.0938-0.174-0.04180.17380.423-0.1295-0.26241.1980.30070.2383311.0481495.5149695.1993
511.38490.31190.78920.98720.74761.823-0.1839-0.06440.13230.3487-0.071-0.21480.00470.70380.25620.3248-0.1427-0.0411.3771-0.04070.4737322.1429477.0424699.1493
522.0672-0.16710.25541.2788-1.10771.0826-0.1197-0.00990.00790.30250.3184-0.4097-0.60930.57880.0110.4351-0.12670.00341.3770.14870.5113324.4463505.7691706.11
530.3458-0.46990.00621.8847-1.19584.18810.0292-0.33790.033-0.038-0.22450.3057-0.4110.26170.1490.366-0.05990.09181.1293-0.25670.0964307.4706481.3313694.8657
542.3510.21071.65830.6345-0.08951.27-0.70590.57360.6477-0.5790.1254-0.05980.12380.23850.34980.936-0.3071-0.0821.03540.12190.5004328.3615494.2913720.0225
550.14620.2735-0.07260.92540.9182.57560.08890.070.0504-0.1360.2105-0.0722-0.12170.1602-0.00040.7347-0.18950.04861.41770.083-0.0528321.6867486.5389715.5913
560.6722-0.11550.39260.38570.28520.6215-0.07320.1133-0.24730.0873-0.0069-0.0041-0.2634-0.1243-0.04650.7623-0.2356-0.08771.33870.08610.1166310.8191486.5526722.8466
573.45410.6568-2.9031.4112-0.09263.32320.1218-0.2518-0.8660.0141-0.16270.10660.0677-0.06490.03130.38020.07480.31490.98440.04561.4295305.9222492.529733.1074
580.49880.95730.01293.5614-1.37141.1256-0.1478-0.39060.20720.8383-0.1791.0396-0.3668-0.98070.1441.0280.14340.14551.4883-0.45480.5524317.0775497.1645731.5887
590.9097-1.6070.91459.8801-2.87571.1445-0.185-0.9039-0.15831.13080.25480.0242-0.29310.1363-0.03490.77890.46210.161.4964-0.15210.5686324.5026486.1665730.7863
602.79432.0040.67762.32880.52580.218-0.3950.15250.56160.16320.50220.66050.21830.3961-0.12921.0815-0.0121-0.00730.81440.1080.3524355.2019506.0983772.0097
612.3236-3.92510.04148.9555-2.22718.0495-0.022-0.0642-0.09920.1427-0.4757-0.44240.44560.47030.27990.8123-0.1543-0.06010.52480.47160.575361.0067494.4384774.62
621.96831.1842-0.28532.2097-0.37271.33110.37620.3534-0.22730.1174-0.3808-0.4471-0.1532-0.185-0.04941.07170.3689-0.1750.83540.03960.2395331.0568484.3324779.0593
631.31810.07421.40731.93850.04572.08250.3375-0.05840.3629-0.25690.01390.6471-0.1029-1.0815-0.29180.67330.2463-0.08161.26960.08380.5742314.1889478.1815776.0911
643.29812.193-3.20993.1386-2.50323.20110.208-0.07140.04930.14940.080.5134-0.4296-0.1502-0.34350.72540.45780.04650.9110.09240.2826312.6755493.0302770.5808
652.24860.01770.86752.53390.66390.506-0.27180.08270.13760.4511-0.0264-0.0575-0.05880.10840.16880.88260.0677-0.68321.0025-0.23960.7883328.6758495.3323770.318
662.6283-1.56991.71831.9513-0.23671.740.70080.45860.2425-0.0848-0.11620.179-0.2652-0.6149-0.57851.07470.1555-0.46920.8712-0.18891.5735339.2087503.0393765.9146
673.2203-0.72192.11971.45322.07676.60310.16460.4978-0.5357-0.86010.0313-0.0358-0.64860.4588-0.45020.6786-0.0350.00720.9342-0.03920.1975322.2091473.6673779.219
680.0842-0.3469-0.0933.13390.0490.1711-0.2457-0.431-0.13330.8120.0177-0.2688-0.1606-0.48620.18110.7034-0.2133-0.02330.9115-0.06060.3438324.0455491.9458752.2517
691.1402-0.0215-0.06256.8867-4.80223.3525-0.07640.52240.25160.21160.36070.68360.0717-0.9265-0.23610.9180.0096-0.02681.04420.03120.3853326.138504.9621757.8087
703.7551-4.2783.55195.5455-5.18995.3067-0.3729-1.09140.6210.53660.5283-0.26260.1330.3196-0.0440.82740.3393-0.0331.0287-0.11630.4663318.2482500.4442751.3243
716.67370.14871.76935.04811.09772.0002-0.29370.38040.3534-0.4242-0.03780.6715-0.7502-0.83390.28781.2411-0.034-0.36661.3322-0.0530.3333316.0051495.7823748.9233
725.3583-1.79024.05986.6106-0.57895.8873-0.2672-0.36320.2870.37110.2974-0.69950.63291.7183-0.10760.74660.1474-0.13170.90450.10650.4374322.2871483.1892763.4192
730.8668-0.22970.01050.1850.02750.9499-0.1043-0.07940.050.12550.1013-0.02460.07880.17390.16750.7257-0.0204-0.08370.6681-0.0982-0.0418328.4821483.5146749.7956
743.3734-0.5698-0.3670.3255-0.25190.46420.0501-0.9395-0.33140.050.0576-0.01440.1518-0.08760.00481.1918-0.0809-0.14670.70910.1250.2438326.4181474.8564753.4373
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'H' and (resid 105 through 126 )
2X-RAY DIFFRACTION2chain 'H' and (resid 127 through 151 )
3X-RAY DIFFRACTION3chain 'H' and (resid 152 through 166 )
4X-RAY DIFFRACTION4chain 'I' and (resid 61 through 92 )
5X-RAY DIFFRACTION5chain 'I' and (resid 93 through 131 )
6X-RAY DIFFRACTION6chain 'I' and (resid 132 through 155 )
7X-RAY DIFFRACTION7chain 'I' and (resid 156 through 342 )
8X-RAY DIFFRACTION8chain 'I' and (resid 343 through 393 )
9X-RAY DIFFRACTION9chain 'I' and (resid 394 through 430 )
10X-RAY DIFFRACTION10chain 'J' and (resid 1 through 48 )
11X-RAY DIFFRACTION11chain 'J' and (resid 49 through 64 )
12X-RAY DIFFRACTION12chain 'J' and (resid 65 through 137 )
13X-RAY DIFFRACTION13chain 'J' and (resid 138 through 166 )
14X-RAY DIFFRACTION14chain 'K' and (resid 60 through 92 )
15X-RAY DIFFRACTION15chain 'K' and (resid 93 through 154 )
16X-RAY DIFFRACTION16chain 'K' and (resid 155 through 260 )
17X-RAY DIFFRACTION17chain 'K' and (resid 261 through 430 )
18X-RAY DIFFRACTION18chain 'L' and (resid 1 through 57 )
19X-RAY DIFFRACTION19chain 'L' and (resid 58 through 126 )
20X-RAY DIFFRACTION20chain 'L' and (resid 127 through 166 )
21X-RAY DIFFRACTION21chain 'A' and (resid 61 through 92 )
22X-RAY DIFFRACTION22chain 'A' and (resid 93 through 156 )
23X-RAY DIFFRACTION23chain 'A' and (resid 157 through 237 )
24X-RAY DIFFRACTION24chain 'A' and (resid 238 through 284 )
25X-RAY DIFFRACTION25chain 'A' and (resid 285 through 342 )
26X-RAY DIFFRACTION26chain 'A' and (resid 343 through 430 )
27X-RAY DIFFRACTION27chain 'B' and (resid 1 through 23 )
28X-RAY DIFFRACTION28chain 'B' and (resid 24 through 37 )
29X-RAY DIFFRACTION29chain 'B' and (resid 38 through 57 )
30X-RAY DIFFRACTION30chain 'B' and (resid 58 through 74 )
31X-RAY DIFFRACTION31chain 'B' and (resid 75 through 86 )
32X-RAY DIFFRACTION32chain 'B' and (resid 87 through 104 )
33X-RAY DIFFRACTION33chain 'B' and (resid 105 through 137 )
34X-RAY DIFFRACTION34chain 'B' and (resid 138 through 151 )
35X-RAY DIFFRACTION35chain 'B' and (resid 152 through 166 )
36X-RAY DIFFRACTION36chain 'C' and (resid 62 through 115 )
37X-RAY DIFFRACTION37chain 'C' and (resid 116 through 155 )
38X-RAY DIFFRACTION38chain 'C' and (resid 156 through 284 )
39X-RAY DIFFRACTION39chain 'C' and (resid 285 through 393 )
40X-RAY DIFFRACTION40chain 'C' and (resid 394 through 430 )
41X-RAY DIFFRACTION41chain 'D' and (resid 1 through 23 )
42X-RAY DIFFRACTION42chain 'D' and (resid 24 through 74 )
43X-RAY DIFFRACTION43chain 'D' and (resid 75 through 86 )
44X-RAY DIFFRACTION44chain 'D' and (resid 87 through 104 )
45X-RAY DIFFRACTION45chain 'D' and (resid 105 through 116 )
46X-RAY DIFFRACTION46chain 'D' and (resid 117 through 151 )
47X-RAY DIFFRACTION47chain 'D' and (resid 152 through 166 )
48X-RAY DIFFRACTION48chain 'E' and (resid 62 through 94 )
49X-RAY DIFFRACTION49chain 'E' and (resid 95 through 156 )
50X-RAY DIFFRACTION50chain 'E' and (resid 157 through 259 )
51X-RAY DIFFRACTION51chain 'E' and (resid 260 through 342 )
52X-RAY DIFFRACTION52chain 'E' and (resid 343 through 394 )
53X-RAY DIFFRACTION53chain 'E' and (resid 395 through 430 )
54X-RAY DIFFRACTION54chain 'F' and (resid 1 through 46 )
55X-RAY DIFFRACTION55chain 'F' and (resid 47 through 74 )
56X-RAY DIFFRACTION56chain 'F' and (resid 75 through 116 )
57X-RAY DIFFRACTION57chain 'F' and (resid 117 through 137 )
58X-RAY DIFFRACTION58chain 'F' and (resid 138 through 151 )
59X-RAY DIFFRACTION59chain 'F' and (resid 152 through 166 )
60X-RAY DIFFRACTION60chain 'G' and (resid 61 through 131 )
61X-RAY DIFFRACTION61chain 'G' and (resid 132 through 155 )
62X-RAY DIFFRACTION62chain 'G' and (resid 156 through 237 )
63X-RAY DIFFRACTION63chain 'G' and (resid 238 through 313 )
64X-RAY DIFFRACTION64chain 'G' and (resid 314 through 342 )
65X-RAY DIFFRACTION65chain 'G' and (resid 343 through 364 )
66X-RAY DIFFRACTION66chain 'G' and (resid 365 through 393 )
67X-RAY DIFFRACTION67chain 'G' and (resid 394 through 430 )
68X-RAY DIFFRACTION68chain 'H' and (resid 1 through 23 )
69X-RAY DIFFRACTION69chain 'H' and (resid 24 through 37 )
70X-RAY DIFFRACTION70chain 'H' and (resid 38 through 46 )
71X-RAY DIFFRACTION71chain 'H' and (resid 47 through 57 )
72X-RAY DIFFRACTION72chain 'H' and (resid 58 through 74 )
73X-RAY DIFFRACTION73chain 'H' and (resid 75 through 86 )
74X-RAY DIFFRACTION74chain 'H' and (resid 87 through 104 )

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