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- PDB-4bsu: Structure of the ectodomain of LGR5 in complex with R-spondin-1 (... -

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Basic information

Entry
Database: PDB / ID: 4bsu
TitleStructure of the ectodomain of LGR5 in complex with R-spondin-1 (Fu1Fu2) in C2 crystal form
Components
  • LEUCINE-RICH REPEAT-CONTAINING G-PROTEIN COUPLED RECEPTOR 5
  • R-SPONDIN-1
KeywordsSIGNALING PROTEIN / SIGNALLING PROTEIN / ADULT STEM CELL / LEUCINE-RICH REPEAT G-PROTEIN COUPLED RECEPTOR / LEUCINE-RICH REPEAT / FURIN DOMAIN / WNT SIGNALING / CONGENITAL ANONYCHIA
Function / homology
Function and homology information


epithelial cell proliferation involved in renal tubule morphogenesis / oocyte differentiation / protein-hormone receptor activity / regulation of receptor internalization / G protein-coupled peptide receptor activity / inner ear development / positive regulation of Wnt signaling pathway / hair follicle development / Regulation of FZD by ubiquitination / trans-Golgi network membrane ...epithelial cell proliferation involved in renal tubule morphogenesis / oocyte differentiation / protein-hormone receptor activity / regulation of receptor internalization / G protein-coupled peptide receptor activity / inner ear development / positive regulation of Wnt signaling pathway / hair follicle development / Regulation of FZD by ubiquitination / trans-Golgi network membrane / G protein-coupled receptor activity / G protein-coupled receptor binding / adenylate cyclase-activating G protein-coupled receptor signaling pathway / Wnt signaling pathway / transmembrane signaling receptor activity / positive regulation of canonical Wnt signaling pathway / heparin binding / regulation of cell population proliferation / positive regulation of protein phosphorylation / G protein-coupled receptor signaling pathway / signaling receptor binding / Golgi apparatus / extracellular region / nucleoplasm / nucleus / plasma membrane
Similarity search - Function
R-spondin, Fu-CRD domain / Furin-like repeat, cysteine-rich / Glycoprotein hormone receptor family / Hormone Receptor, Insulin-like Growth Factor Receptor 1; Chain A domain 2 / Hormone Receptor, Insulin-like Growth Factor Receptor 1; Chain A, domain 2 / Leucine rich repeat N-terminal domain / Leucine-rich repeat N-terminal domain / Leucine rich repeat N-terminal domain / Thrombospondin type-1 (TSP1) repeat superfamily / Thrombospondin type-1 (TSP1) repeat profile. ...R-spondin, Fu-CRD domain / Furin-like repeat, cysteine-rich / Glycoprotein hormone receptor family / Hormone Receptor, Insulin-like Growth Factor Receptor 1; Chain A domain 2 / Hormone Receptor, Insulin-like Growth Factor Receptor 1; Chain A, domain 2 / Leucine rich repeat N-terminal domain / Leucine-rich repeat N-terminal domain / Leucine rich repeat N-terminal domain / Thrombospondin type-1 (TSP1) repeat superfamily / Thrombospondin type-1 (TSP1) repeat profile. / Thrombospondin type 1 repeats / Thrombospondin type-1 (TSP1) repeat / Leucine-rich repeats, bacterial type / Leucine Rich Repeat / Leucine-rich repeat, LRR (right-handed beta-alpha superhelix) / Ribonuclease Inhibitor / Leucine-rich repeat, SDS22-like subfamily / Alpha-Beta Horseshoe / Furin-like repeat / Furin-like repeats / Leucine rich repeat / Leucine-rich repeat, typical subtype / Leucine-rich repeats, typical (most populated) subfamily / Leucine-rich repeat profile. / Growth factor receptor cysteine-rich domain superfamily / Leucine-rich repeat / Leucine-rich repeat domain superfamily / Ribbon / G protein-coupled receptor, rhodopsin-like / GPCR, rhodopsin-like, 7TM / G-protein coupled receptors family 1 profile. / 7 transmembrane receptor (rhodopsin family) / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
Leucine-rich repeat-containing G-protein coupled receptor 5 / R-spondin-1
Similarity search - Component
Biological speciesHOMO SAPIENS (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / OTHER / Resolution: 3.2 Å
AuthorsPeng, W.C. / de Lau, W. / Forneris, F. / Granneman, J.C.M. / Huch, M. / Clevers, H. / Gros, P.
CitationJournal: Cell Rep. / Year: 2013
Title: Structure of Stem Cell Growth Factor R-Spondin 1 in Complex with the Ectodomain of its Receptor Lgr5.
Authors: Peng, W.C. / De Lau, W. / Forneris, F. / Granneman, J.C.M. / Huch, M. / Clevers, H. / Gros, P.
History
DepositionJun 11, 2013Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jun 26, 2013Provider: repository / Type: Initial release
Revision 1.1Jul 24, 2013Group: Database references
Revision 2.0Jul 29, 2020Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Derived calculations / Other / Structure summary
Category: atom_site / chem_comp ...atom_site / chem_comp / entity / pdbx_branch_scheme / pdbx_chem_comp_identifier / pdbx_database_status / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen / pdbx_unobs_or_zero_occ_residues / struct_asym / struct_conn / struct_site / struct_site_gen
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.type_symbol / _chem_comp.name / _chem_comp.type / _pdbx_database_status.status_code_sf / _pdbx_struct_assembly_gen.asym_id_list / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_role / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id
Description: Carbohydrate remediation / Provider: repository / Type: Remediation

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: LEUCINE-RICH REPEAT-CONTAINING G-PROTEIN COUPLED RECEPTOR 5
B: LEUCINE-RICH REPEAT-CONTAINING G-PROTEIN COUPLED RECEPTOR 5
C: R-SPONDIN-1
D: R-SPONDIN-1
E: LEUCINE-RICH REPEAT-CONTAINING G-PROTEIN COUPLED RECEPTOR 5
F: LEUCINE-RICH REPEAT-CONTAINING G-PROTEIN COUPLED RECEPTOR 5
G: R-SPONDIN-1
H: R-SPONDIN-1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)298,91914
Polymers296,2938
Non-polymers2,6266
Water00
1
E: LEUCINE-RICH REPEAT-CONTAINING G-PROTEIN COUPLED RECEPTOR 5
F: LEUCINE-RICH REPEAT-CONTAINING G-PROTEIN COUPLED RECEPTOR 5
G: R-SPONDIN-1
H: R-SPONDIN-1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)149,5417
Polymers148,1464
Non-polymers1,3943
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area8420 Å2
ΔGint-14.9 kcal/mol
Surface area49850 Å2
MethodPISA
2
A: LEUCINE-RICH REPEAT-CONTAINING G-PROTEIN COUPLED RECEPTOR 5
B: LEUCINE-RICH REPEAT-CONTAINING G-PROTEIN COUPLED RECEPTOR 5
C: R-SPONDIN-1
D: R-SPONDIN-1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)149,3797
Polymers148,1464
Non-polymers1,2323
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area8240 Å2
ΔGint-15.7 kcal/mol
Surface area53000 Å2
MethodPISA
Unit cell
Length a, b, c (Å)495.130, 62.150, 104.869
Angle α, β, γ (deg.)90.00, 91.19, 90.00
Int Tables number5
Space group name H-MC121
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
22
/ NCS ensembles :
ID
1
2

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Components

#1: Protein
LEUCINE-RICH REPEAT-CONTAINING G-PROTEIN COUPLED RECEPTOR 5 / G-PROTEIN COUPLED RECEPTOR 49 / G-PROTEIN COUPLED RECEPTOR 67 / G-PROTEIN COUPLED RECEPTOR HG38 / ...G-PROTEIN COUPLED RECEPTOR 49 / G-PROTEIN COUPLED RECEPTOR 67 / G-PROTEIN COUPLED RECEPTOR HG38 / LGR5 - LEUCINE-RICH REPEAT G-PROTEIN COUPLED RECEPTOR 5


Mass: 60366.457 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Details: N-LINKED GLYCOSYLATIONS AT ASN 63,77,208,500 / Source: (gene. exp.) HOMO SAPIENS (human) / Cell line (production host): HEK293 / Production host: HOMO SAPIENS (human) / References: UniProt: O75473
#2: Protein
R-SPONDIN-1 / ROOF PLATE-SPECIFIC SPONDIN-1 / HRSPO1


Mass: 13706.780 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) HOMO SAPIENS (human) / Cell line (production host): HEK293 / Production host: HOMO SAPIENS (human) / References: UniProt: Q2MKA7
#3: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 424.401 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}}LINUCSPDB-CARE
#4: Polysaccharide beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 586.542 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-1-2/a4-b1_b4-c1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}}}LINUCSPDB-CARE
#5: Sugar ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
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
Sequence detailsN-TERMINAL 6XHISTAG, PLUS ENLYFQGS AND C-TERMINAL AAA INTRODUCED BY CLONING N-TERMINAL GS AND C- ...N-TERMINAL 6XHISTAG, PLUS ENLYFQGS AND C-TERMINAL AAA INTRODUCED BY CLONING N-TERMINAL GS AND C-TERMINAL AAA ADDED BY CLONING PLASMID, PLUS C-TERMINAL 6XHIS TAG

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION

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Sample preparation

CrystalDensity Matthews: 2.72 Å3/Da / Density % sol: 54.82 % / Description: NONE

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.2→97.2 Å / Num. obs: 52878 / % possible obs: 99 % / Observed criterion σ(I): 0.9 / Redundancy: 2.8 % / Biso Wilson estimate: 100.26 Å2 / Rmerge(I) obs: 0.08 / Net I/σ(I): 7.1

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Processing

SoftwareName: PHENIX / Version: (PHENIX.REFINE: 1.8.2_1309) / Classification: refinement
RefinementMethod to determine structure: OTHER
Starting model: NONE

Resolution: 3.2→65.501 Å / SU ML: 0.58 / σ(F): 1.34 / Phase error: 34.75 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2875 2693 5.1 %
Rwork0.2401 --
obs0.2425 52807 98.61 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.2→65.501 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms17782 0 173 0 17955
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00418405
X-RAY DIFFRACTIONf_angle_d1.24624945
X-RAY DIFFRACTIONf_dihedral_angle_d17.856802
X-RAY DIFFRACTIONf_chiral_restr0.0392909
X-RAY DIFFRACTIONf_plane_restr0.0063206
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.2-3.25820.44621470.41252626X-RAY DIFFRACTION99
3.2582-3.32090.41681270.38932594X-RAY DIFFRACTION98
3.3209-3.38870.4631480.39372615X-RAY DIFFRACTION98
3.3887-3.46240.44891370.36962599X-RAY DIFFRACTION98
3.4624-3.54290.4141310.35832537X-RAY DIFFRACTION98
3.5429-3.63150.37871220.30952688X-RAY DIFFRACTION99
3.6315-3.72970.38811280.27172605X-RAY DIFFRACTION99
3.7297-3.83940.30461610.2422623X-RAY DIFFRACTION99
3.8394-3.96330.25841480.23432581X-RAY DIFFRACTION98
3.9633-4.10490.31361440.23272615X-RAY DIFFRACTION98
4.1049-4.26930.28151450.22762611X-RAY DIFFRACTION99
4.2693-4.46350.24731610.21092642X-RAY DIFFRACTION99
4.4635-4.69880.2291500.19772623X-RAY DIFFRACTION99
4.6988-4.99310.25951310.18682661X-RAY DIFFRACTION99
4.9931-5.37840.23441330.19092677X-RAY DIFFRACTION99
5.3784-5.91940.30431530.21452646X-RAY DIFFRACTION99
5.9194-6.77520.27241400.21612698X-RAY DIFFRACTION99
6.7752-8.5330.30291470.25712695X-RAY DIFFRACTION99
8.533-65.5150.22991400.22142778X-RAY DIFFRACTION97
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
10.2212-0.1508-0.15280.18510.15110.18710.1139-0.425-0.2460.07840.0074-0.46260.01890.298100.695-0.2319-0.03121.29630.20390.6494-34.8309-15.2431-14.3733
20.18220.1413-0.04140.32050.08490.0985-0.21940.0341-0.2353-0.15390.5956-0.20220.1417-0.15960.03550.6316-0.1631-0.02891.1880.40350.7073-52.385-9.323311.0701
30.13140.17730.0910.23020.1070.21020.1946-0.46770.31-0.0253-0.34390.13850.0855-0.0091-00.6238-0.0858-0.06371.35620.26340.6849-84.6823-7.419313.9191
40.00750.01210.02190.02920.0290.0332-0.25440.1074-0.05090.0835-0.3018-0.03650.3625-0.1789-0.0010.7808-0.0359-0.16491.16740.1340.9187-101.3534-21.852-3.2418
50.04470.00230.04940.0186-0.03310.07740.43450.3365-0.0004-0.0380.15550.5458-0.44390.03420.00081.2812-0.0876-0.20981.4047-0.18842.2114-140.1895-32.586620.7551
60.1580.12690.1360.2190.03980.15930.00520.03250.3480.1980.08790.72370.0354-0.229-0.09240.7324-0.37720.36222.1261-0.11361.341-125.4043-30.805134.7654
70.2794-0.00080.03070.13250.09850.1480.1611-0.4346-0.09590.3646-0.38760.00560.2355-0.1141-0.21520.9609-0.75280.10562.10750.49120.7327-96.4574-34.50833.4324
80.1807-0.01510.05560.03750.04370.11770.0446-0.3657-0.3430.1766-0.04460.04850.1924-0.09130.07820.7277-0.20340.09581.13450.82140.841-74.9479-39.563917.1058
90.0796-0.0229-0.00180.20310.12670.0882-0.23970.0971-0.2898-0.3547-0.2562-0.24930.43790.09-0.24030.808-0.23450.10231.14730.61430.7073-72.9202-29.678-2.2738
100.0187-0.00160.00660.0034-0.00340.0082-0.14860.0082-0.03630.0515-0.0444-0.0105-0.02430.05470.00010.68920.19240.26021.37150.00811.3725-57.0514-34.2714-18.4696
110.0030.0027-0.00430.0051-0.00790.0128-0.04060.0437-0.0438-0.1825-0.03090.03310.1-0.0672-01.3686-0.1949-0.2091.50450.39771.0844-56.0255-30.2955-13.66
120.0141-0.00320.00630.01490.00730.0065-0.04950.0072-0.0152-0.1832-0.09410.3313-0.13460.0262-0.00110.7536-0.0791-0.13381.54070.36351.0081-62.1241-23.5668-18.7103
130.0172-0.011-0.00860.04860.05840.0541-0.1627-0.10440.09860.0422-0.167-0.00840.10240.1556-0.00050.9523-0.3511-0.17881.7230.52710.9759-54.3056-13.1448-10.9543
140.0428-0.01650.01710.0058-0.00760.0068-0.006-0.0492-0.0234-0.0273-0.0107-0.0299-0.2058-0.018-0.02070.8546-0.0666-0.17560.82350.56330.6543-50.77531.9526-15.9384
150.0078-0.00090.01160.0011-0.00210.0163-0.0512-0.03960.0594-0.01080.00590.02150.0264-0.04880.00751.2276-0.0604-0.36121.11880.47581.339-52.81146.6648-8.5233
160.03240.0138-0.20360.0269-0.04781.338-0.013-0.02880.022-0.01950.00110.0304-0.0056-0.0019-0.00062.5844-0.37530.08312.2244-0.06872.5259-45.264311.2203-7.8084
170.00210.00030.00120.0007-0.00240.00540.02880.0099-0.040.01560.00350.04440.0454-0.036501.5163-0.14430.03221.45370.14381.1246-44.15056.9637-15.7417
180.0056-0.00210.00210.0325-0.0250.01620.079-0.00780.1115-0.17270.0273-0.09630.1587-0.02820.00011.4035-0.2271-0.28081.6446-0.27441.5431-117.2808-21.65517.2976
190.0809-0.0067-0.00530.0296-0.02350.0061-0.12860.08380.2506-0.3746-0.17120.12110.32760.0384-01.1207-0.4214-0.00821.4539-0.23631.0455-115.6926-41.539321.2274
200.00480.00410.00220.00350.00130.00630.04890.0112-0.0080.00210.03390.02890.00290.01190.00031.8167-0.38220.24632.20710.11012.0991-123.1961-53.2729.1687
210.04760.02270.04370.0180.01490.02830.0608-0.02810.02880.03640.06680.0165-0.06610.1873-00.85490.0259-0.10440.94250.00941.393316.45548.949328.6883
220.23420.0012-0.158-0.01540.01090.1175-0.08180.86910.603-0.09310.2447-0.02970.1545-0.15970.00010.6977-0.07980.05431.45030.12470.9606-8.5517-4.8316.4165
230.11940.1079-0.06880.108-0.03560.27420.0260.0811-0.07430.02070.2536-0.05220.07060.07460.1630.9662-0.07280.00590.1335-0.19890.531-34.9604-27.540732.6871
240.7710.19390.01410.7517-0.88211.1467-0.0037-0.20370.24350.1743-0.0414-0.0955-0.51440.076-0.10381.0798-0.1012-0.2089-0.04430.24480.5107-45.9548-24.71353.9939
250.67250.43670.10120.74330.01610.8094-0.106-0.33020.09250.08290.00090.35530.2273-0.47881.15440.5494-0.19060.07331.01180.68590.5611-85.6197-28.630571.1324
260.63760.0214-0.43130.6067-0.4880.8531-0.01370.5160.51980.00650.73980.05190.2777-0.74410.290.6784-0.086-0.10840.26320.36710.7686-58.2172-5.910441.1032
271.7170.57170.48543.384-0.05910.14840.1542-0.58860.03171.07890.09020.16570.3015-0.05460.01560.9111-0.0117-0.25880.8518-0.34011.0996-22.45720.144748.9438
280.0034-0.00080.0008-0.0001-0.0003-0.00020.0340.01220.01740.0189-0.0203-0.04240.03120.038302.05870.2854-0.06422.11570.17581.8901-9.844514.179743.7204
290.00720.0051-0.01420.0021-0.01330.0402-0.0027-0.07960.06160.0360.017-0.00650.0182-0.02330.00011.5891-0.2589-0.22071.5883-0.12831.913-10.86179.787439.1612
300.0496-0.01120.03870.0795-0.03110.0343-0.35060.07520.14110.0203-0.1084-0.11170.07610.3405-0.00010.8963-0.0699-0.14791.0863-0.00931.0385-5.7134-2.967936.7585
310.0237-0.008-0.02480.00390.00830.02450.03570.036-0.10960.0844-0.04290.00940.05010.00930.0060.72260.616-0.01931.14350.10361.31124.1217-17.685729.135
320.0043-0.00160.00150.00180.00210.00460.0093-0.023-0.0401-0.0111-0.0025-0.0294-0.02680.01130.00021.67810.3356-0.22832.0951-0.30051.97085.1297-26.128222.62
330.0011-0.00050.00040.0014-0.00150.00250.05880.0027-0.0381-0.02090.0213-0.02240.00080.00470.00021.7115-0.06120.07112.00890.11932.020611.3467-18.373523.8727
340.0004-0.0005-0.00010.0009-0.00050.0002-0.0411-0.016-0.03740.0080.03050.0180.0193-0.0601.04110.0777-0.3291.86380.41791.4984-55.8459-34.137771.6905
350.0106-0.00890.00710.006-0.00110.0048-0.2336-0.17380.11490.086-0.21060.02140.05940.0764-0.00031.1407-0.31030.01581.08080.33040.7503-59.3873-27.312868.1417
360.0159-0.00390.01150.02020.01060.01380.0817-0.17270.10880.16720.0776-0.09060.08340.0267-01.1242-0.5821-0.15481.18320.14470.8027-60.081-22.06272.4776
370.004-0.00570.00360.0082-0.00630.0049-0.2420.05390.09580.0146-0.1189-0.12830.04830.0538-0.00020.9462-0.1499-0.1471.3039-0.01880.8637-66.0992-24.017661.1619
380.00810.0004-0.0080.00710.00910.019-0.29640.0036-0.06460.0076-0.1821-0.02290.19410.0386-0.00060.6555-0.2628-0.05040.90040.0050.814-66.8773-11.517166.163
390.0068-0.0041-0.00110.0040.00070.01930.02960.0661-0.0659-0.2323-0.01060.06670.15750.0494-0.00010.8003-0.1828-0.09651.60850.10310.8091-73.5302-12.088163.4202
400.0037-0.0034-0.00640.00090.00330.0060.0312-0.0023-0.06780.06-0.04380.04140.0372-0.04940.00011.1295-0.06470.14660.764-0.09411.0501-78.8519-4.901166.8052
410.0051-0.0059-0.00320.00670.00110.01220.0102-0.01980.01760.07540.08380.0053-0.04790.04250.00052.04750.58680.35011.7152-0.29842.1499-85.16422.47661.9518
420.0069-0.00250.00820.0011-0.00130.01530.0051-0.0067-0.00740.02080.0527-0.0218-0.0546-0.00890.00021.42020.2506-0.10922.0265-0.15131.6808-88.0189-4.288167.9885
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1CHAIN A AND (RESID 31 THROUGH 197 )
2X-RAY DIFFRACTION2CHAIN A AND (RESID 198 THROUGH 298 )
3X-RAY DIFFRACTION3CHAIN A AND (RESID 299 THROUGH 459 )
4X-RAY DIFFRACTION4CHAIN A AND (RESID 460 THROUGH 543 )
5X-RAY DIFFRACTION5CHAIN B AND (RESID 33 THROUGH 92 )
6X-RAY DIFFRACTION6CHAIN B AND (RESID 93 THROUGH 197 )
7X-RAY DIFFRACTION7CHAIN B AND (RESID 198 THROUGH 336 )
8X-RAY DIFFRACTION8CHAIN B AND (RESID 337 THROUGH 401 )
9X-RAY DIFFRACTION9CHAIN B AND (RESID 402 THROUGH 543 )
10X-RAY DIFFRACTION10CHAIN C AND (RESID 40 THROUGH 49 )
11X-RAY DIFFRACTION11CHAIN C AND (RESID 50 THROUGH 60 )
12X-RAY DIFFRACTION12CHAIN C AND (RESID 61 THROUGH 76 )
13X-RAY DIFFRACTION13CHAIN C AND (RESID 77 THROUGH 111 )
14X-RAY DIFFRACTION14CHAIN C AND (RESID 112 THROUGH 121 )
15X-RAY DIFFRACTION15CHAIN C AND (RESID 122 THROUGH 131 )
16X-RAY DIFFRACTION16CHAIN C AND (RESID 132 THROUGH 136 )
17X-RAY DIFFRACTION17CHAIN C AND (RESID 137 THROUGH 142 )
18X-RAY DIFFRACTION18CHAIN D AND (RESID 40 THROUGH 76 )
19X-RAY DIFFRACTION19CHAIN D AND (RESID 77 THROUGH 136 )
20X-RAY DIFFRACTION20CHAIN D AND (RESID 137 THROUGH 143 )
21X-RAY DIFFRACTION21CHAIN E AND (RESID 31 THROUGH 92 )
22X-RAY DIFFRACTION22CHAIN E AND (RESID 93 THROUGH 297 )
23X-RAY DIFFRACTION23CHAIN E AND (RESID 298 THROUGH 401 )
24X-RAY DIFFRACTION24CHAIN E AND (RESID 402 THROUGH 544 )
25X-RAY DIFFRACTION25CHAIN F AND (RESID 30 THROUGH 168 )
26X-RAY DIFFRACTION26CHAIN F AND (RESID 169 THROUGH 459 )
27X-RAY DIFFRACTION27CHAIN F AND (RESID 460 THROUGH 543 )
28X-RAY DIFFRACTION28CHAIN G AND (RESID 40 THROUGH 49 )
29X-RAY DIFFRACTION29CHAIN G AND (RESID 50 THROUGH 60 )
30X-RAY DIFFRACTION30CHAIN G AND (RESID 61 THROUGH 111 )
31X-RAY DIFFRACTION31CHAIN G AND (RESID 112 THROUGH 126 )
32X-RAY DIFFRACTION32CHAIN G AND (RESID 127 THROUGH 136 )
33X-RAY DIFFRACTION33CHAIN G AND (RESID 137 THROUGH 142 )
34X-RAY DIFFRACTION34CHAIN H AND (RESID 40 THROUGH 49 )
35X-RAY DIFFRACTION35CHAIN H AND (RESID 50 THROUGH 66 )
36X-RAY DIFFRACTION36CHAIN H AND (RESID 67 THROUGH 82 )
37X-RAY DIFFRACTION37CHAIN H AND (RESID 83 THROUGH 92 )
38X-RAY DIFFRACTION38CHAIN H AND (RESID 93 THROUGH 101 )
39X-RAY DIFFRACTION39CHAIN H AND (RESID 102 THROUGH 111 )
40X-RAY DIFFRACTION40CHAIN H AND (RESID 112 THROUGH 126 )
41X-RAY DIFFRACTION41CHAIN H AND (RESID 127 THROUGH 136 )
42X-RAY DIFFRACTION42CHAIN H AND (RESID 137 THROUGH 143 )

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