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- PDB-9mfg: Complex of IL23 receptor and VHH -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 9mfg
TitleComplex of IL23 receptor and VHH
Components
  • Interleukin-23 receptor
  • VHH
KeywordsIMMUNE SYSTEM / immunology / IBD / inflammatory bowel disease
Function / homology
Function and homology information


prolactin receptor activity / positive regulation of NK T cell activation / positive regulation of T-helper 1 type immune response / interleukin-23 receptor complex / positive regulation of memory T cell differentiation / interleukin-23-mediated signaling pathway / Interleukin-23 signaling / positive regulation of T-helper 17 type immune response / positive regulation of osteoclast differentiation / cytokine receptor activity ...prolactin receptor activity / positive regulation of NK T cell activation / positive regulation of T-helper 1 type immune response / interleukin-23 receptor complex / positive regulation of memory T cell differentiation / interleukin-23-mediated signaling pathway / Interleukin-23 signaling / positive regulation of T-helper 17 type immune response / positive regulation of osteoclast differentiation / cytokine receptor activity / cell surface receptor signaling pathway via STAT / positive regulation of granulocyte macrophage colony-stimulating factor production / negative regulation of interleukin-10 production / cytokine binding / positive regulation of interleukin-17 production / positive regulation of natural killer cell proliferation / positive regulation of activated T cell proliferation / peptide hormone binding / cell surface receptor signaling pathway via JAK-STAT / response to type II interferon / positive regulation of T-helper 17 cell lineage commitment / positive regulation of defense response to virus by host / positive regulation of T cell proliferation / positive regulation of interleukin-12 production / positive regulation of T cell mediated cytotoxicity / positive regulation of type II interferon production / cytokine-mediated signaling pathway / Interleukin-4 and Interleukin-13 signaling / response to lipopolysaccharide / defense response to Gram-negative bacterium / receptor complex / inflammatory response / external side of plasma membrane / positive regulation of cell population proliferation / cell surface / plasma membrane
Similarity search - Function
: / Fibronectin type-III domain profile. / Fibronectin type III / Fibronectin type III superfamily / Immunoglobulin-like fold
Similarity search - Domain/homology
THIOCYANATE ION / Interleukin-23 receptor
Similarity search - Component
Biological speciesHomo sapiens (human)
Lama glama (llama)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.85 Å
AuthorsKiefer, J.R. / Wallweber, H.A. / Koerber, J.T. / Ota, N. / Davies, C.
Funding support1items
OrganizationGrant numberCountry
Not funded
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2025
Title: Engineering a protease-stable, oral single-domain antibody to inhibit IL-23 signaling.
Authors: Ota, N. / Davies, C.W. / Kang, J. / Yan, D. / Scherl, A. / Wong, A. / Cook, R. / Tao, X. / Dunlap, D. / Klabunde, S. / Mantik, P. / Mohanan, V. / Lin, W. / McBride, J. / Sadekar, S. / ...Authors: Ota, N. / Davies, C.W. / Kang, J. / Yan, D. / Scherl, A. / Wong, A. / Cook, R. / Tao, X. / Dunlap, D. / Klabunde, S. / Mantik, P. / Mohanan, V. / Lin, W. / McBride, J. / Sadekar, S. / Storek, K.M. / Lupardus, P. / Ye, Z. / Ackerly Wallweber, H. / Kiefer, J.R. / Xu, M. / Chan, P. / Nagapudi, K. / Yi, T. / Koerber, J.T.
History
DepositionDec 9, 2024Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 21, 2025Provider: repository / Type: Initial release
Revision 1.1Jun 11, 2025Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Interleukin-23 receptor
B: Interleukin-23 receptor
C: Interleukin-23 receptor
D: Interleukin-23 receptor
E: VHH
F: VHH
G: VHH
H: VHH
hetero molecules


Theoretical massNumber of molelcules
Total (without water)202,83834
Polymers193,7028
Non-polymers9,13726
Water1,62190
1
A: Interleukin-23 receptor
G: VHH
hetero molecules


Theoretical massNumber of molelcules
Total (without water)49,9798
Polymers48,4252
Non-polymers1,5546
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3780 Å2
ΔGint15 kcal/mol
Surface area20440 Å2
MethodPISA
2
B: Interleukin-23 receptor
H: VHH
hetero molecules


Theoretical massNumber of molelcules
Total (without water)51,0667
Polymers48,4252
Non-polymers2,6405
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area6100 Å2
ΔGint33 kcal/mol
Surface area21720 Å2
MethodPISA
3
C: Interleukin-23 receptor
F: VHH
hetero molecules


Theoretical massNumber of molelcules
Total (without water)51,0578
Polymers48,4252
Non-polymers2,6316
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area6000 Å2
ΔGint21 kcal/mol
Surface area21160 Å2
MethodPISA
4
D: Interleukin-23 receptor
E: VHH
hetero molecules


Theoretical massNumber of molelcules
Total (without water)50,73711
Polymers48,4252
Non-polymers2,3119
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area5020 Å2
ΔGint20 kcal/mol
Surface area21020 Å2
MethodPISA
Unit cell
Length a, b, c (Å)105.313, 403.472, 84.247
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number18
Space group name H-MP21212

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Components

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Protein / Antibody , 2 types, 8 molecules ABCDEFGH

#1: Protein
Interleukin-23 receptor / IL-23 receptor / IL-23R


Mass: 35286.934 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: IL23R / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: Q5VWK5
#2: Antibody
VHH


Mass: 13138.472 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Lama glama (llama) / Production host: Cricetulus griseus (Chinese hamster)

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Sugars , 6 types, 18 molecules

#3: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta- ...2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 570.542 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-1-2/a4-b1_a6-c1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}[(6+1)][a-L-Fucp]{}}LINUCSPDB-CARE
#4: 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.: 5
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam 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
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}LINUCSPDB-CARE
#5: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-D-mannopyranose-(1-3)-[alpha-L-fucopyranose-(1- ...2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-D-mannopyranose-(1-3)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 732.682 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-3DManpa1-3[LFucpa1-6]DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1a_1-5][a1221m-1a_1-5]/1-2-1-3/a3-b1_a6-d1_b3-c1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(3+1)][a-D-Manp]{[(3+1)][b-D-GlcpNAc]{}}[(6+1)][a-L-Fucp]{}}LINUCSPDB-CARE
#6: Polysaccharide alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)][alpha-L-fucopyranose- ...alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 732.682 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3[DGlcpNAcb1-4][LFucpa1-6]DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1a_1-5][a1221m-1a_1-5]/1-2-1-3/a3-b1_a4-c1_a6-d1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(3+1)][a-D-Manp]{}[(4+1)][b-D-GlcpNAc]{}[(6+1)][a-L-Fucp]{}}LINUCSPDB-CARE
#7: Polysaccharide alpha-D-mannopyranose-(1-3)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 529.490 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3[LFucpa1-6]DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/3,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1a_1-5][a1221m-1a_1-5]/1-2-3/a3-b1_a6-c1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(3+1)][a-D-Manp]{}[(6+1)][a-L-Fucp]{}}LINUCSPDB-CARE
#8: Sugar
ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C8H15NO6
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0

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Non-polymers , 4 types, 98 molecules

#9: Chemical
ChemComp-SCN / THIOCYANATE ION


Mass: 58.082 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: CNS
#10: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C3H8O3
#11: Chemical ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: SO4
#12: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 90 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestN
Has protein modificationY

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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: 4.62 Å3/Da / Density % sol: 73.38 %
Crystal growTemperature: 291 K / Method: vapor diffusion / pH: 8.5
Details: 0.1 M Tris (pH 8.5), 16% 606 PEG4000, 200 mM Li2SO4, 200 mM NaSCN and was cryoprotected with 25% glycerol

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Data collection

DiffractionMean temperature: 103 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.97918 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jul 28, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97918 Å / Relative weight: 1
ReflectionResolution: 2.85→35 Å / Num. obs: 74785 / % possible obs: 87.8 % / Redundancy: 3 % / CC1/2: 0.988 / CC star: 0.997 / Rmerge(I) obs: 0.123 / Rpim(I) all: 0.077 / Rrim(I) all: 0.146 / Χ2: 1.066 / Net I/σ(I): 6 / Num. measured all: 225294
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique obsCC1/2CC starRpim(I) allRrim(I) allΧ2% possible all
2.85-2.91.70.50719700.3950.7530.4150.6590.68547.1
2.9-2.951.80.51525010.4160.7670.420.6680.76259.7
2.95-3.0120.47728040.5160.8250.3750.610.74765.9
3.01-3.072.10.42329780.6530.8890.320.5330.78771.6
3.07-3.142.20.3933020.690.9040.2930.4910.80578
3.14-3.212.30.34634830.7880.9390.2570.4340.78882.8
3.21-3.292.40.30836890.8570.9610.2210.3810.86587.4
3.29-3.382.60.28138700.8710.9650.1960.3440.91591.9
3.38-3.482.80.25440290.9010.9740.1710.3080.92496.3
3.48-3.593.10.2440940.9310.9820.1540.2870.95297.4
3.59-3.723.20.21641570.9430.9850.1330.2560.98397.9
3.72-3.873.30.18641400.9620.990.1120.2180.99897.4
3.87-4.043.30.1641060.9720.9930.0970.1881.06196.7
4.04-4.263.10.12440240.9770.9940.080.1491.16994.4
4.26-4.523.60.1142160.9830.9960.0660.1291.1999
4.52-4.873.80.10242280.9860.9970.0580.1181.22198.9
4.87-5.363.80.09542740.9850.9960.0540.111.16699
5.36-6.133.70.09542650.9840.9960.0540.111.19198.5
6.13-7.713.50.08442630.9880.9970.0490.0981.20397.3
7.71-353.60.05743920.9930.9980.0340.0671.29195.3

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Processing

Software
NameVersionClassification
PHENIX1.21.2_5419refinement
HKL-2000data scaling
HKL-2000data reduction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.85→34.97 Å / SU ML: 0.35 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 26.24 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2457 3590 4.84 %
Rwork0.2039 --
obs0.206 74222 87.19 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 2.85→34.97 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12779 0 597 90 13466
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00513748
X-RAY DIFFRACTIONf_angle_d0.75118758
X-RAY DIFFRACTIONf_dihedral_angle_d18.2875304
X-RAY DIFFRACTIONf_chiral_restr0.0482204
X-RAY DIFFRACTIONf_plane_restr0.0052319
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.85-2.890.3913690.35151365X-RAY DIFFRACTION44
2.89-2.930.38730.32121678X-RAY DIFFRACTION54
2.93-2.970.34741020.31121862X-RAY DIFFRACTION62
2.97-3.010.3344790.30522103X-RAY DIFFRACTION66
3.01-3.060.34431280.2922102X-RAY DIFFRACTION70
3.06-3.110.36761230.30532337X-RAY DIFFRACTION76
3.11-3.160.3371160.29332414X-RAY DIFFRACTION79
3.16-3.220.32481210.29232576X-RAY DIFFRACTION83
3.22-3.280.35291470.27392663X-RAY DIFFRACTION87
3.28-3.350.32011660.25572770X-RAY DIFFRACTION91
3.35-3.420.2931400.25932883X-RAY DIFFRACTION94
3.42-3.50.28771560.22942980X-RAY DIFFRACTION96
3.5-3.590.31151530.2292971X-RAY DIFFRACTION97
3.59-3.690.27511420.21843044X-RAY DIFFRACTION97
3.69-3.790.27421420.2123026X-RAY DIFFRACTION97
3.79-3.920.26351580.20223014X-RAY DIFFRACTION97
3.92-4.060.25221480.18113021X-RAY DIFFRACTION96
4.06-4.220.2081710.15522920X-RAY DIFFRACTION94
4.22-4.410.19491500.14833025X-RAY DIFFRACTION98
4.41-4.640.17511420.14463115X-RAY DIFFRACTION99
4.64-4.930.18821580.14193079X-RAY DIFFRACTION99
4.93-5.310.18431480.15163138X-RAY DIFFRACTION99
5.31-5.840.18851720.16733121X-RAY DIFFRACTION99
5.84-6.680.23871740.19193089X-RAY DIFFRACTION98
6.68-8.40.2221330.21793077X-RAY DIFFRACTION94
8.4-34.970.23081790.22643259X-RAY DIFFRACTION97
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)
13.7330.53180.93032.34540.70651.567-0.1149-0.10160.20350.14590.08160.0893-0.03160.153200.57780.01280.04310.46040.06960.477846.802839.25989.536
20.84380.0644-0.00274.40790.80951.0193-0.1252-0.1751-0.1948-0.05610.09280.37350.1725-0.2745-0.00020.49440.0014-0.03160.54960.13060.673818.0559.64375.0266
30.5839-0.2894-0.65320.2408-0.85582.32980.10870.501-0.0989-0.8507-0.03550.25371.05220.0866-0.00011.2126-0.038-0.14860.77890.06360.82320.4674-7.356-20.9157
43.81140.3819-0.45362.1735-0.47322.2794-0.0562-0.112-0.17820.18410.13830.0848-0.0573-0.0952-0.00010.5288-0.0092-0.08690.4759-0.01180.5869-0.279560.25053.7864
51.30860.1825-0.12080.0809-0.03860.45220.03670.0749-0.0088-0.0113-0.07910.222-0.18660.388400.59240.0204-0.01010.646-0.02640.482718.309777.7068-12.1268
60.8324-0.9091-0.77521.55020.08621.7260.0872-0.04950.8972-0.1407-0.07990.3596-0.58490.44320.00010.7078-0.1038-0.05390.720.08110.390928.589890.1027-9.0634
71.07190.7116-0.35471.0667-0.87011.6932-0.00590.6332-0.099-0.5771-0.034-0.2360.02870.785500.92550.09770.07261.19730.01010.549531.546188.9426-40.1172
80.12440.3021-0.0067-0.0491-0.31630.525-0.08930.5980.1584-0.32590.1192-0.16270.43421.3570.00181.00950.08090.07221.08250.15550.763627.898586.2971-44.7141
94.08440.72510.7541.0479-0.8251.4986-0.07750.03380.2594-0.00940.00030.10720.1396-0.1182-00.60130.0353-0.10450.4567-0.09740.64270.809936.47258.7183
101.92450.19310.86030.44730.11361.8824-0.1181-0.2053-0.02750.01130.0604-0.04960.41720.597900.61430.10910.02620.72310.05040.431730.614115.93322.1548
11-0.30910.159-0.1397-0.73190.13630.5716-0.1169-0.39990.32420.58870.0957-0.22030.08870.79430.00031.11030.1966-0.06671.43380.03810.622837.335512.232755.8229
123.3626-0.3194-0.74413.13030.31811.6565-0.2641-0.3034-0.2975-0.13550.1735-0.00970.12230.11180.00010.54810.012-0.03220.4420.06170.375245.287762.86711.9117
131.2143-1.5836-1.13762.31350.81740.90790.03580.1918-0.16030.0383-0.07970.3686-0.0513-0.26070.00010.4838-0.0022-0.03630.570.08930.494715.283888.34026.9898
141.5616-0.49441.75620.3318-0.26891.4521-0.1788-0.63350.25810.5898-0.01020.1096-0.4721-0.1067-0.00020.84920.0740.09330.82710.06880.576711.7778106.960932.4142
152.16910.71491.49742.0003-0.49251.6752-0.1011-0.2181.3790.0527-0.0687-0.006-0.35560.0196-0.00090.5411-0.07020.01530.4159-0.12580.675862.692183.0981.2486
161.33350.4839-0.190.52360.32680.37690.01350.15370.6495-0.255-0.01320.0173-0.1977-0.8025-0.00010.56570.0338-0.00150.50310.01130.434655.67278.6019-6.0876
171.08880.7153-0.20860.6817-0.4530.37330.3356-0.4469-0.14510.2928-0.1892-0.345-0.27420.358-00.57280.0001-0.06450.4847-0.07040.451562.927974.34693.1677
183.2405-0.65322.05490.5171-0.49821.36540.81880.3693-1.4866-0.8543-0.10020.39361.0195-0.30390.0770.5903-0.00240.01740.49830.11030.4168.445474.4536-12.2239
191.26410.25561.1862.9095-0.71021.86830.0413-0.2160.28530.5009-0.1628-0.0203-0.8987-0.1153-00.55610.0636-0.0180.3761-0.03210.625256.016582.7973-2.2942
200.83970.605-0.05851.2923-0.89240.50810.178-0.7605-1.06140.39040.16990.28460.2058-0.079500.60880.0434-0.0780.62290.10020.7957-16.400118.528618.4904
210.4070.4722-0.32510.3804-0.22590.21650.06160.0936-0.52670.8413-0.1434-1.03180.78580.1638-0.00010.5440.0443-0.06160.53470.00730.739-9.445319.12149.6892
221.54240.734-0.52961.21970.08520.33090.1564-0.22040.14610.3755-0.17280.5007-0.12260.0233-0.00010.61280.0345-0.12690.5149-0.04010.5109-16.704127.101716.0091
231.0920.145-0.32530.14540.30640.40060.04840.271-0.68450.389-0.32330.46550.19390.043500.53770.0095-0.08920.52460.05440.7892-17.389918.06898.6476
240.36360.2452-0.30270.59120.01330.24050.5656-0.5392-0.67180.7573-0.4831-0.80640.42720.45330.0020.61390.0335-0.31030.56950.08110.7408-2.759619.57918.8607
250.66240.1-0.48970.0205-0.07650.3772-1.2346-0.1446-0.8325-0.2457-0.72030.9054-0.0336-0.324-0.54450.6467-0.0963-0.16550.6124-0.0350.6808-24.346511.93686.5489
261.52770.2645-1.72890.1603-0.39532.12250.1017-0.5731-1.21260.5479-0.9217-0.02990.82110.7807-0.67770.6678-0.0549-0.11630.49180.09631.391672.079821.114615.3046
271.20340.11370.4611.2772-0.02930.58930.26550.5725-1.6313-0.1430.1920.42070.0365-0.14050.00890.51190.0622-0.03880.6245-0.02890.837763.532822.61437.753
280.35730.16090.14180.34970.19630.1026-0.0011-1.1319-1.05250.38620.15920.09330.3826-0.429-0.00040.6840.0193-0.11580.75360.22280.668759.322325.005919.523
291.3526-0.293-0.23260.8218-0.53730.4761-0.053-0.2314-0.40630.18970.2483-0.4076-0.06180.2539-0.00030.4951-0.045-0.02420.47920.06060.726163.403233.01599.9491
301.3466-0.7633-0.03211.2789-0.28190.22650.0644-0.5774-0.26130.1759-0.0754-0.40390.3745-0.15330.00220.5718-0.0273-0.02430.7304-0.06680.754370.142128.332413.8745
310.133-0.0919-0.00260.12320.08830.0723-0.0725-0.5529-1.1403-0.1496-0.2653-0.39550.6477-0.0503-0.00220.5826-0.0259-0.01670.51340.12910.673162.442221.439214.7284
320.20970.0725-0.29730.1602-0.06660.3483-0.32290.0406-0.9710.17960.21371.01360.0577-0.2277-0.00010.6091-0.091-0.13430.60660.0130.946653.05721.00349.1266
330.06360.1151-0.02070.39470.15510.2197-0.988-1.0353-0.127-0.30590.9785-0.44610.00460.5180.00330.65860.2071-0.10170.8970.35920.915773.92222.933524.7723
340.6841-0.08010.47170.8797-0.15530.3069-0.3086-0.36771.86920.1709-0.3684-0.0826-0.37131.1079-0.15340.6278-0.1054-0.08210.58980.18541.2277-25.537379.5809-1.2957
351.8609-0.63960.37272.5655-0.78581.6592-0.16930.24451.02930.0305-0.0963-0.430.15040.1993-0.00010.5018-0.0436-0.09680.61860.02740.8751-16.131675.4678-2.2137
360.3109-0.0398-0.1110.6438-0.09970.02420.24220.14460.0852-0.0119-0.3670.34250.1486-0.38520.00010.571-0.0427-0.13490.57260.0540.6148-15.359965.66922.2612
370.85420.3101-0.28770.5695-0.03910.1128-0.00570.29540.318-0.22960.05920.42030.6708-0.40510.00010.60770.0044-0.09490.61320.09760.8158-22.669168.9638-4.424
380.0665-0.0653-0.03940.06390.06330.10640.40120.0130.58061.59350.4647-0.5649-0.2772-0.11210.00360.6427-0.1256-0.02470.9806-0.10640.9025-24.452476.090612.7593
390.0550.035-0.10760.0055-0.04860.1080.0259-0.06170.984-0.7716-0.43180.53-0.3301-0.07920.00010.6822-0.0246-0.07430.41270.06670.9795-16.230778.6465-1.1479
400.47980.42650.31780.6051-0.1430.64890.03451.03030.69640.2154-0.6389-0.43340.05270.0823-0.00010.5119-0.11820.12230.86250.21220.8861-6.779676.1777-5.9759
415.8424-0.44621.02490.087-0.48373.5226-0.6411-1.02850.5858-0.0730.2061-0.3307-0.5197-0.98-0.12490.8860.0677-0.23940.562-0.08711.0858-27.872682.39178.1886
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 25 through 122 )
2X-RAY DIFFRACTION2chain 'A' and (resid 123 through 216 )
3X-RAY DIFFRACTION3chain 'A' and (resid 217 through 317 )
4X-RAY DIFFRACTION4chain 'B' and (resid 25 through 110 )
5X-RAY DIFFRACTION5chain 'B' and (resid 111 through 156 )
6X-RAY DIFFRACTION6chain 'B' and (resid 157 through 200 )
7X-RAY DIFFRACTION7chain 'B' and (resid 201 through 298 )
8X-RAY DIFFRACTION8chain 'B' and (resid 299 through 322 )
9X-RAY DIFFRACTION9chain 'C' and (resid 25 through 110 )
10X-RAY DIFFRACTION10chain 'C' and (resid 111 through 222 )
11X-RAY DIFFRACTION11chain 'C' and (resid 223 through 319 )
12X-RAY DIFFRACTION12chain 'D' and (resid 25 through 110 )
13X-RAY DIFFRACTION13chain 'D' and (resid 111 through 230 )
14X-RAY DIFFRACTION14chain 'D' and (resid 231 through 317 )
15X-RAY DIFFRACTION15chain 'E' and (resid 1 through 39 )
16X-RAY DIFFRACTION16chain 'E' and (resid 40 through 52 )
17X-RAY DIFFRACTION17chain 'E' and (resid 53 through 82 )
18X-RAY DIFFRACTION18chain 'E' and (resid 83 through 90 )
19X-RAY DIFFRACTION19chain 'E' and (resid 91 through 120 )
20X-RAY DIFFRACTION20chain 'F' and (resid 1 through 39 )
21X-RAY DIFFRACTION21chain 'F' and (resid 40 through 52 )
22X-RAY DIFFRACTION22chain 'F' and (resid 53 through 82 )
23X-RAY DIFFRACTION23chain 'F' and (resid 83 through 98 )
24X-RAY DIFFRACTION24chain 'F' and (resid 99 through 113 )
25X-RAY DIFFRACTION25chain 'F' and (resid 114 through 120 )
26X-RAY DIFFRACTION26chain 'G' and (resid 1 through 17 )
27X-RAY DIFFRACTION27chain 'G' and (resid 18 through 39 )
28X-RAY DIFFRACTION28chain 'G' and (resid 40 through 51 )
29X-RAY DIFFRACTION29chain 'G' and (resid 52 through 72 )
30X-RAY DIFFRACTION30chain 'G' and (resid 73 through 90 )
31X-RAY DIFFRACTION31chain 'G' and (resid 91 through 98 )
32X-RAY DIFFRACTION32chain 'G' and (resid 99 through 113 )
33X-RAY DIFFRACTION33chain 'G' and (resid 114 through 120 )
34X-RAY DIFFRACTION34chain 'H' and (resid 1 through 16 )
35X-RAY DIFFRACTION35chain 'H' and (resid 17 through 51 )
36X-RAY DIFFRACTION36chain 'H' and (resid 52 through 66 )
37X-RAY DIFFRACTION37chain 'H' and (resid 67 through 83 )
38X-RAY DIFFRACTION38chain 'H' and (resid 84 through 90 )
39X-RAY DIFFRACTION39chain 'H' and (resid 91 through 98 )
40X-RAY DIFFRACTION40chain 'H' and (resid 99 through 113 )
41X-RAY DIFFRACTION41chain 'H' and (resid 114 through 120 )

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