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- PDB-7ok7: Crystal structure of the UNC119B ARL3 complex -

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Basic information

Entry
Database: PDB / ID: 7ok7
TitleCrystal structure of the UNC119B ARL3 complex
Components
  • ADP-ribosylation factor-like protein 3
  • Protein unc-119 homolog B
KeywordsPROTEIN TRANSPORT / Complex / g-protein
Function / homology
Function and homology information


Trafficking of myristoylated proteins to the cilium / Trafficking of myristoylated proteins to the cilium / photoreceptor cell development / protein localization to ciliary membrane / ciliary transition zone / intraciliary transport / post-Golgi vesicle-mediated transport / photoreceptor connecting cilium / Golgi to plasma membrane transport / protein localization to cilium ...Trafficking of myristoylated proteins to the cilium / Trafficking of myristoylated proteins to the cilium / photoreceptor cell development / protein localization to ciliary membrane / ciliary transition zone / intraciliary transport / post-Golgi vesicle-mediated transport / photoreceptor connecting cilium / Golgi to plasma membrane transport / protein localization to cilium / lipoprotein transport / smoothened signaling pathway / small GTPase-mediated signal transduction / axoneme / mitotic cytokinesis / cilium assembly / cytoplasmic microtubule / ciliary basal body / kidney development / spindle microtubule / cilium / GDP binding / microtubule cytoskeleton / protein transport / nervous system development / midbody / microtubule binding / Golgi membrane / GTPase activity / centrosome / lipid binding / GTP binding / Golgi apparatus / magnesium ion binding / nucleoplasm / nucleus / cytosol / cytoplasm
Similarity search - Function
ADP-ribosylation factor-like protein 2/3 / GMP phosphodiesterase, delta subunit / GMP phosphodiesterase, delta subunit superfamily / GMP-PDE, delta subunit / small GTPase Arf family profile. / Sar1p-like members of the Ras-family of small GTPases / Small GTPase superfamily, ARF/SAR type / ADP-ribosylation factor family / ARF-like small GTPases; ARF, ADP-ribosylation factor / Rab subfamily of small GTPases ...ADP-ribosylation factor-like protein 2/3 / GMP phosphodiesterase, delta subunit / GMP phosphodiesterase, delta subunit superfamily / GMP-PDE, delta subunit / small GTPase Arf family profile. / Sar1p-like members of the Ras-family of small GTPases / Small GTPase superfamily, ARF/SAR type / ADP-ribosylation factor family / ARF-like small GTPases; ARF, ADP-ribosylation factor / Rab subfamily of small GTPases / Small GTP-binding protein domain / Immunoglobulin E-set / P-loop containing nucleoside triphosphate hydrolase
Similarity search - Domain/homology
PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER / PHOSPHATE ION / Protein unc-119 homolog B / ADP-ribosylation factor-like protein 3
Similarity search - Component
Biological speciesMus musculus (house mouse)
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.15 Å
AuthorsYelland, T. / Ismail, S.
Funding support1items
OrganizationGrant numberCountry
Cancer Research UK
CitationJournal: Biochemistry / Year: 2021
Title: The Structural and Biochemical Characterization of UNC119B Cargo Binding and Release Mechanisms.
Authors: Yelland, T. / Garcia, E. / Samarakoon, Y. / Ismail, S.
History
DepositionMay 17, 2021Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jun 9, 2021Provider: repository / Type: Initial release
Revision 1.1Jul 14, 2021Group: 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.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _citation_author.identifier_ORCID / _citation_author.name
Revision 1.2Nov 30, 2022Group: Database references / Category: citation / citation_author / database_2
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.3Jan 31, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: ADP-ribosylation factor-like protein 3
B: ADP-ribosylation factor-like protein 3
C: ADP-ribosylation factor-like protein 3
D: ADP-ribosylation factor-like protein 3
E: ADP-ribosylation factor-like protein 3
F: ADP-ribosylation factor-like protein 3
G: Protein unc-119 homolog B
H: Protein unc-119 homolog B
I: Protein unc-119 homolog B
J: Protein unc-119 homolog B
K: Protein unc-119 homolog B
L: Protein unc-119 homolog B
hetero molecules


Theoretical massNumber of molelcules
Total (without water)258,37436
Polymers254,03312
Non-polymers4,34124
Water37821
1
A: ADP-ribosylation factor-like protein 3
I: Protein unc-119 homolog B
hetero molecules


Theoretical massNumber of molelcules
Total (without water)43,0726
Polymers42,3392
Non-polymers7344
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: ADP-ribosylation factor-like protein 3
G: Protein unc-119 homolog B
hetero molecules


Theoretical massNumber of molelcules
Total (without water)43,1347
Polymers42,3392
Non-polymers7965
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: ADP-ribosylation factor-like protein 3
H: Protein unc-119 homolog B
hetero molecules


Theoretical massNumber of molelcules
Total (without water)43,1347
Polymers42,3392
Non-polymers7965
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
D: ADP-ribosylation factor-like protein 3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)21,2753
Polymers20,7291
Non-polymers5472
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
5
E: ADP-ribosylation factor-like protein 3
K: Protein unc-119 homolog B
hetero molecules


Theoretical massNumber of molelcules
Total (without water)42,9805
Polymers42,3392
Non-polymers6413
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
6
F: ADP-ribosylation factor-like protein 3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)21,2753
Polymers20,7291
Non-polymers5472
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
7
J: Protein unc-119 homolog B
hetero molecules


Theoretical massNumber of molelcules
Total (without water)21,7973
Polymers21,6101
Non-polymers1872
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
8
L: Protein unc-119 homolog B
hetero molecules


Theoretical massNumber of molelcules
Total (without water)21,7052
Polymers21,6101
Non-polymers951
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)110.270, 152.190, 171.840
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 , 2 types, 12 molecules ABCDEFGHIJKL

#1: Protein
ADP-ribosylation factor-like protein 3


Mass: 20728.662 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Details: ARL3 small g-protein / Source: (gene. exp.) Mus musculus (house mouse) / Gene: Arl3 / Production host: Escherichia coli (E. coli) / References: UniProt: Q9WUL7
#2: Protein
Protein unc-119 homolog B


Mass: 21610.197 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: UNC119B / Production host: Escherichia coli (E. coli) / References: UniProt: A6NIH7

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Non-polymers , 6 types, 45 molecules

#3: Chemical
ChemComp-GNP / PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER / 5'-Guanylyl imidodiphosphate


Mass: 522.196 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C10H17N6O13P3
Comment: GppNHp, GMPPNP, energy-carrying molecule analogue*YM
#4: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Mg
#5: Chemical
ChemComp-PO4 / PHOSPHATE ION / Phosphate


Mass: 94.971 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: PO4
#6: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol


Mass: 92.094 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C3H8O3
#7: Chemical ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol


Mass: 62.068 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C2H6O2
#8: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 21 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestN

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Experimental details

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Experiment

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

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Sample preparation

CrystalDensity Matthews: 2.98 Å3/Da / Density % sol: 58.75 %
Crystal growTemperature: 279 K / Method: vapor diffusion, sitting drop
Details: 1.00 M Ammonium di-hydrogen phosphate, 0.1M Tris PH7.5

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I04-1 / Wavelength: 0.91587 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jun 24, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.91587 Å / Relative weight: 1
ReflectionResolution: 3.15→74.82 Å / Num. obs: 50733 / % possible obs: 99.9 % / Redundancy: 6.7 % / CC1/2: 0.998 / Net I/σ(I): 0.114
Reflection shellResolution: 3.15→3.23 Å / Num. unique obs: 3702 / CC1/2: 0.782

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Processing

Software
NameVersionClassification
PHENIX(1.15.2_3472: ???)refinement
DIALSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4goj
Resolution: 3.15→74.82 Å / SU ML: 0.43 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 27.2 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2699 2574 5.08 %
Rwork0.2214 --
obs0.2239 50657 99.89 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.15→74.82 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms16963 0 132 21 17116
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00317451
X-RAY DIFFRACTIONf_angle_d0.71223666
X-RAY DIFFRACTIONf_dihedral_angle_d7.57710721
X-RAY DIFFRACTIONf_chiral_restr0.0492614
X-RAY DIFFRACTIONf_plane_restr0.0043030
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.15-3.21060.32181240.31322630X-RAY DIFFRACTION100
3.2106-3.27610.36621570.31052615X-RAY DIFFRACTION100
3.2761-3.34740.34441420.29192652X-RAY DIFFRACTION100
3.3474-3.42520.34431150.28722659X-RAY DIFFRACTION100
3.4252-3.51090.33591410.26882619X-RAY DIFFRACTION100
3.5109-3.60580.30031540.26082636X-RAY DIFFRACTION100
3.6058-3.71190.28841290.2482673X-RAY DIFFRACTION100
3.7119-3.83170.29851530.25212641X-RAY DIFFRACTION100
3.8317-3.96870.29691360.24282640X-RAY DIFFRACTION100
3.9687-4.12760.23831600.21752639X-RAY DIFFRACTION100
4.1276-4.31540.2841650.20592644X-RAY DIFFRACTION100
4.3154-4.54290.24361420.18782673X-RAY DIFFRACTION100
4.5429-4.82750.22831460.18322664X-RAY DIFFRACTION100
4.8275-5.20010.26161530.18342669X-RAY DIFFRACTION100
5.2001-5.72330.24961270.20072706X-RAY DIFFRACTION100
5.7233-6.5510.26271450.23492711X-RAY DIFFRACTION100
6.551-8.25190.25541370.20582743X-RAY DIFFRACTION100
8.2519-74.820.24111480.22869X-RAY DIFFRACTION99
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)
13.28641.07930.38450.8960.97351.11980.7686-1.30320.9430.7253-0.51051.38041.3421-1.1958-0.18911.096-0.12-0.01560.67420.13631.60124.106447.014556.453
23.15150.97821.1372.1141-0.38493.3939-0.1275-0.2789-0.09980.20560.1944-0.00060.05540.37760.02570.41530.0266-0.00980.3330.05660.486916.681120.215146.5413
34.09682.03091.01654.6581-0.20313.9158-0.2252-0.3220.1159-0.06360.04480.56250.1723-0.3969-0.00780.5514-0.0938-0.01820.44180.13830.60756.744121.069546.4444
44.6013-0.23491.13512.7796-0.76783.37910.05150.7337-0.5158-0.35370.05650.26850.56140.0903-0.13280.4988-0.0483-0.07290.43290.06930.405714.18218.710932.4287
51.9398-0.5805-0.64094.64710.70223.4581-0.98071.24990.2935-0.27880.47370.6164-0.0123-0.22780.1560.50040.001-0.14120.64750.19490.58711.806423.702623.8656
61.2423-1.59090.56871.9271-0.35091.1954-0.06120.6611.1654-0.4301-0.1625-0.3969-0.70320.3260.16230.7289-0.0684-0.01850.40770.16450.641617.287631.215636.182
70.1078-0.473-0.48412.63632.01621.63440.0560.6378-0.25750.5982-0.47290.48110.2385-0.4028-0.33880.53290.2150.08090.53680.12230.558964.196275.488832.7142
83.80030.27310.74042.46280.55312.84510.2382-0.3723-0.22480.4542-0.27360.19240.2501-0.50780.04010.435-0.15070.06480.58740.04930.44256.544345.378326.3723
93.0535-1.39090.63173.4926-0.23942.92240.10140.41340.3390.1304-0.44670.6284-0.307-0.7520.33340.5157-0.0930.09270.5839-0.04290.69747.586852.443920.1517
100.75270.2277-0.60774.5915-0.28590.26770.2774-0.46270.1427-0.3358-0.0477-0.8978-0.2868-0.4486-0.21480.7703-0.08460.05770.62290.01740.525431.308854.0668-0.7089
111.88140.41880.54390.42220.05454.66480.1951-0.3583-0.4186-0.08220.1840.35470.3431-0.4765-0.44150.4373-0.049-0.01820.6310.15030.41123.745730.9584-4.7428
122.3055-0.8841-0.09772.98170.32963.6756-0.04150.326-0.25320.1398-0.0057-0.338-0.38380.74170.09450.4091-0.01110.01470.83750.21620.558529.844733.86520.8378
132.2388-1.4632-1.50911.9125-1.76884.98770.1731-0.6507-0.38810.5543-0.2108-0.45570.05940.9972-0.07030.5784-0.1496-0.05530.85980.15180.504524.105729.828511.9571
142.57470.49940.27154.55071.0772.33490.1071-0.69470.36490.2946-0.30870.5276-0.686-0.37560.29620.4501-0.03290.07760.68160.1030.512113.104237.07958.6925
154.9629-2.9534-3.79044.79721.08413.3307-0.3339-0.03591.6020.25710.1057-0.670.66360.7802-0.32540.6335-0.03690.1340.6809-0.08710.948431.747350.885715.3515
16-0.12210.56960.04155.5105-1.55721.09980.4982-0.1373-0.09451.1794-1.5059-1.3874-0.36930.74830.72340.4556-0.0406-0.10520.56480.04750.707249.23362.732462.1743
172.57320.69540.25760.7921-0.41931.8075-0.04370.08760.20290.0757-0.0675-0.1508-0.41530.07270.10.4871-0.1755-0.05070.59110.19430.574438.702623.99156.7019
183.16291.5981-0.34056.61291.51583.75430.352-0.8031-0.5044-0.0196-0.4071-0.7451-0.57860.58420.01340.6477-0.2472-0.02990.84080.14370.644149.969124.433861.0574
193.4639-1.2364-1.56982.9691-1.11643.8401-0.070.3990.1474-0.12260.0208-0.4688-0.36110.7187-0.05730.5726-0.14350.04030.65970.16390.603451.551623.730645.2677
200.47560.0089-0.78425.2775-0.3111.36370.14590.93330.1172-1.0560.26021.8307-1.4086-0.2386-0.10421.25720.1222-0.40860.6797-0.31390.5587-10.3437-34.121538.6114
212.2110.86980.79822.87121.03642.1548-0.124-0.0409-0.1230.15640.42150.48340.2865-0.1196-0.29950.7222-0.04220.05080.39910.02260.5063-4.304-7.77727.1625
223.0108-0.1254-0.10394.0371.13933.1191-0.10220.208-0.2268-0.16350.5074-0.44760.24110.837-0.29470.62690.0165-0.05270.5458-0.16670.58288.4034-9.829520.8205
237.21431.86461.94017.40722.53416.4142-0.1310.77671.5217-1.5528-0.78961.65250.0420.30270.33940.8265-0.1472-0.07180.61560.11130.57923.961249.0659-4.7636
241.75740.0612.57520.8368-0.04693.66841.0157-0.31241.90380.24570.73680.6979-0.5706-1.25410.20781.07870.22960.92030.771-0.06921.655723.675771.1231-0.3873
251.05040.23111.23370.888-1.03293.65040.61480.31151.89410.26160.1270.5976-0.317-0.6804-0.4210.8571-0.10420.46160.8906-0.04941.120433.756286.0415-5.3638
260.4442-0.6234-0.31521.08430.06240.6659-0.002-0.15220.68050.3697-0.01810.70780.134-0.31510.07640.89070.0480.39240.4749-0.06421.339129.116582.6132-11.7968
272.3934-0.30270.42942.4396-1.93882.0215-0.65430.29990.65090.25711.1976-0.2082-0.5258-0.7329-0.0751.01730.04570.54270.73930.02021.739923.7280.4124-4.815
282.3052-0.99570.51010.396-0.01621.8105-0.7291-1.02281.26491.11170.09870.8461-0.6155-0.95290.56741.63460.43181.30820.8224-0.37182.265919.01284.91731.9742
292.14561.9168-0.38062.6052-1.45681.25970.2589-0.45111.37530.49110.08781.1612-0.2148-0.493-0.06051.3835-0.1750.73280.8525-0.31751.447834.501787.22683.6141
302.07260.021.28540.2372-0.19730.6899-0.5661-1.91140.84760.95670.24990.0287-0.9351-0.6136-0.3012.5070.23441.26441.1135-0.39931.235227.621689.760110.0109
311.816-0.45151.13920.8825-1.0611.339-1.3136-0.97770.89020.50480.89610.73770.0447-0.44610.17571.22460.11090.40460.8439-0.23410.918141.644186.55383.1938
322.1639-2.22021.69332.3329-1.761.3508-1.1941-0.70020.73111.0121-0.56470.27830.7991-1.34490.1642.0698-0.01760.70551.1787-0.36030.972135.801984.107415.6733
333.38831.16751.48621.9018-0.98341.82980.7772-0.56-0.79950.2345-0.4328-0.2168-0.00060.1302-0.39091.27440.08820.32930.6436-0.03650.98736.795275.29633.7308
342.0534-0.1492-0.14062.3790.7092.58750.1019-0.33750.04330.5091-0.1431-0.2095-0.00120.06860.00070.591-0.1413-0.03760.75760.11130.657781.478150.432338.374
353.00780.44771.01732.80870.34551.62110.1572-0.51570.02030.2884-0.3862-0.2430.15130.06390.22530.5578-0.164-0.03120.64430.11170.545380.793953.14135.1246
362.9307-0.30140.32641.9103-0.19332.35430.1601-0.24440.50040.4032-0.238-0.1998-0.1851-0.07180.06250.672-0.1411-0.04110.65250.01150.613679.881458.233636.4542
372.1373-1.52540.94624.5852-0.022.99180.444-0.6464-0.0233-0.64590.0193-0.081-0.23531.232-0.31730.7764-0.21-0.03921.37330.14620.678654.869938.8418-11.1585
381.90020.9169-0.51382.3823-0.19421.00780.0334-0.2117-0.8617-0.0007-0.04680.29610.08410.2684-0.10120.58570.1093-0.01310.70880.22940.639537.148828.7021-18.614
392.60850.1260.38351.9517-0.41091.7429-0.0377-0.1210.143-0.0794-0.0004-0.4168-0.17750.3851-0.05040.67970.00490.07020.57750.21760.567334.686439.1362-20.9601
400.4296-0.4585-1.47012.6215-0.04083.39420.3371-0.9520.54120.2640.2112-0.2101-0.10940.8928-0.21430.4262-0.0143-0.06421.29710.28890.496644.415333.8002-7.1382
411.7605-0.0967-1.42742.4668-0.9522.35930.2949-0.91420.31620.6602-0.24050.5716-0.33460.6465-0.03860.4721-0.0352-0.06170.85530.08850.553938.162939.6691-9.8275
423.6371-1.4477-2.20625.81133.8813.91990.3306-0.07790.2254-1.87290.3545-0.4062-0.64040.3908-0.5820.706-0.07890.09610.68920.19740.647441.859850.6401-28.879
432.2527-1.3373.83433.3324-2.9426.60740.1605-1.0643-0.3442-0.4598-0.4994-0.38580.89190.95230.2540.35990.02350.05141.16850.24590.614446.76135.8968-14.8766
443.60770.6204-1.01461.41270.08752.70130.439-0.9733-0.07690.2395-0.49260.3105-0.1771-0.04770.05430.6761-0.07010.08460.71460.04190.61114.875121.68566.968
452.50450.042-1.53453.01651.22141.1322-0.3687-0.22730.50631.18041.0310.69010.09830.4093-0.61740.8735-0.13820.07290.9802-0.04630.804115.77224.830873.1553
463.78330.260.10862.3274-1.67243.32910.3768-0.83090.33580.6133-0.2408-0.06870.1978-0.5161-0.00430.6358-0.0210.03530.6064-0.08650.61574.598320.892961.4361
472.04-0.86381.67462.7725-0.15671.8843-0.0057-1.20630.8270.556-0.24760.4611-0.2821-0.55250.19510.8207-0.11620.26640.8808-0.27410.85016.215928.465366.9671
482.7328-0.553-1.98980.65940.05631.43410.142-0.89970.46480.3961-0.14170.2710.00830.1764-0.00130.8444-0.23150.00090.9951-0.19130.631318.3895-19.0521-7.4882
492.00950.3136-0.71421.14530.75051.61460.2883-0.4123-0.30060.7562-0.40220.25960.3334-0.13940.14490.8077-0.2055-0.03350.7301-0.14860.651825.7032-19.1965-11.6889
503.44421.43582.21962.85070.32932.180.1847-1.62740.54980.3044-0.89370.34780.3053-1.59210.40110.7551-0.18840.05671.1861-0.25160.650113.626-14.809-10.1174
511.60261.01471.75662.58332.00413.02410.5698-0.92470.67281.8648-0.96990.0427-0.137-0.71180.06530.7007-0.06340.13870.8323-0.28750.973218.928-11.4818-18.9654
522.904-0.7014-0.23281.1272-0.44162.84590.3516-0.61170.36561.2323-0.15780.2688-0.2833-0.9026-0.160.73550.01360.09480.8886-0.17110.520422.5977-10.2472-5.9236
531.46030.4597-0.80053.88650.79771.448-0.0486-0.0809-1.0655-1.0019-1.0179-1.01791.6064-0.15720.84422.2512-0.21090.53451.33310.20251.2158-16.1696-8.67355.7895
544.32560.83571.77122.89850.62664.7725-0.5358-1.1378-0.6540.34720.80121.3012-0.3285-0.80410.33820.79970.03020.0880.39750.21320.9954-15.6231-0.84938.9355
551.8978-0.85390.21621.25510.20410.68420.34480.6111-0.68420.03110.01021.83970.00430.2693-0.36341.23180.03590.04310.81070.20441.6219-22.713-10.971526.6768
560.03220.06530.09210.3690.48030.6038-0.5373-0.4173-0.28670.0455-0.11181.36180.3923-1.10250.11510.8963-0.25980.42190.9520.05921.3643-27.4025-2.779936.7582
570.01210.02220.01840.31750.60011.15350.7056-0.31730.41740.60170.95231.60750.1437-2.1066-0.16241.9139-0.87370.34671.22351.04562.4402-27.9258-21.198232.0444
584.30332.84930.91836.60012.08673.10130.1255-0.05170.00721.2481-0.20111.28080.65610.88470.38630.6784-0.00290.05570.6120.17280.7306-9.4977-1.516137.9038
590.25010.3541-0.20371.802-1.05132.0899-0.2386-0.116-0.28461.3011-0.09831.56710.6567-0.20490.88551.5191-0.07940.53520.75610.16581.3048-16.253-12.326445.7981
602.6482-0.48640.75680.89630.85151.44660.2877-1.4668-0.1220.43040.14570.35591.6026-0.8286-0.34791.7576-0.1145-0.09830.85690.45050.8724-11.9775-10.421642.9238
611.57340.18810.05360.06030.35011.09390.2031.4012-0.08840.64170.45840.1087-0.0314-0.7857-0.12831.1385-0.06620.02940.47930.03930.682-15.805-15.596334.7364
62-0.0278-0.007-0.00240.03950.14480.4509-0.1936-0.24692.17780.45170.64671.56490.09830.27860.20221.8628-0.77240.66142.21490.13392.4194-33.4569-22.047642.8935
631.5919-0.573-1.81742.8115-0.12242.1715-0.0033-0.4678-0.32711.1210.26020.59070.0872-0.5075-0.25961.6546-0.06440.38261.03940.24120.8511-14.5185-7.097648.7313
644.10411.02782.21310.96791.18611.48060.4562-0.74210.63480.778-0.75080.52190.3466-2.1319-0.11051.5279-0.37720.39111.11820.03650.8679-23.3283-7.727344.8325
651.56761.3304-0.5753.23840.81220.8297-0.0365-0.4854-0.5150.2356-1.1491.29930.1284-0.40611.10240.9792-0.09280.17391.52950.03472.263557.47914.222120.4829
660.9914-0.2574-0.25990.56280.6690.60720.76050.5198-0.4311-0.0437-0.17430.64760.1882-0.3312-0.53071.0034-0.275-0.21920.85740.16771.901771.8812-7.654620.2386
675.33980.9339-0.87652.0913-0.12995.28830.2349-0.125-0.2232-0.588-0.49310.5219-0.0830.40360.45860.7964-0.0561-0.18640.47790.0241.061386.77860.403723.5882
682.09672.71641.61723.59631.59173.68220.1138-0.98910.86630.4562-0.75252.4684-0.5552-0.9239-0.00220.8326-0.25910.2830.95810.35672.041673.4324-2.925231.0134
694.1493-2.04542.52395.11593.51677.47050.2730.54671.40020.2208-0.5528-0.68170.45510.46710.3030.57930.07820.05170.66530.31521.480284.177512.453227.0869
700.40771.25690.14637.4763.50222.19331.34290.9323-1.54220.1722-0.13841.15531.7047-1.0651-0.58761.0624-0.1305-0.60160.70350.23961.495278.4625-3.291517.639
710.0420.0285-0.0570.12030.06960.1462-0.97760.77851.7507-0.1761-0.56570.59970.266-0.90850.53611.4231-0.3388-0.47791.54480.12852.100664.7889-14.10959.7179
722.45671.61730.76966.16723.57834.79630.77420.6297-0.25850.33620.20510.54910.872-0.5324-1.04350.77840.0758-0.19340.82630.03111.561467.73285.255618.5612
730.2950.12710.52961.3765-1.04812.00870.33850.1007-0.7013-0.15890.02180.21330.6806-1.0625-0.21820.768-0.0722-0.34871.15870.06631.600169.45221.896214.6382
741.2097-0.1341-0.84216.28680.54181.8436-0.3634-0.2746-0.5726-0.25611.53340.52080.4879-0.459-0.84090.8742-0.0255-0.35850.73190.10751.596579.02665.329216.4442
752.2713-1.33750.00030.7521-0.16354.451-0.07460.0824-0.1557-0.21430.38980.5242-1.33650.7731-0.39450.72790.01730.18570.87640.20561.187774.74917.524632.3622
760.36060.3313-0.65730.3013-0.65311.4213-0.16980.5354-1.3847-0.46-0.36511.22620.4965-1.93210.22430.62880.02360.05581.5540.23623.008363.60420.703818.4941
771.29811.43461.02811.56661.4155.03830.08280.2137-0.76770.3574-0.40461.7468-0.2768-1.790.20630.6029-0.0350.09711.02870.17212.094568.91942.557226.9848
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 6 through 16 )
2X-RAY DIFFRACTION2chain 'A' and (resid 17 through 50 )
3X-RAY DIFFRACTION3chain 'A' and (resid 51 through 86 )
4X-RAY DIFFRACTION4chain 'A' and (resid 87 through 135 )
5X-RAY DIFFRACTION5chain 'A' and (resid 136 through 152 )
6X-RAY DIFFRACTION6chain 'A' and (resid 153 through 179 )
7X-RAY DIFFRACTION7chain 'B' and (resid 7 through 17 )
8X-RAY DIFFRACTION8chain 'B' and (resid 18 through 135 )
9X-RAY DIFFRACTION9chain 'B' and (resid 136 through 183 )
10X-RAY DIFFRACTION10chain 'C' and (resid 3 through 23 )
11X-RAY DIFFRACTION11chain 'C' and (resid 24 through 58 )
12X-RAY DIFFRACTION12chain 'C' and (resid 59 through 74 )
13X-RAY DIFFRACTION13chain 'C' and (resid 75 through 119 )
14X-RAY DIFFRACTION14chain 'C' and (resid 120 through 175 )
15X-RAY DIFFRACTION15chain 'C' and (resid 176 through 185 )
16X-RAY DIFFRACTION16chain 'D' and (resid 5 through 23 )
17X-RAY DIFFRACTION17chain 'D' and (resid 24 through 58 )
18X-RAY DIFFRACTION18chain 'D' and (resid 59 through 86 )
19X-RAY DIFFRACTION19chain 'D' and (resid 87 through 181 )
20X-RAY DIFFRACTION20chain 'E' and (resid 5 through 16 )
21X-RAY DIFFRACTION21chain 'E' and (resid 17 through 74 )
22X-RAY DIFFRACTION22chain 'E' and (resid 75 through 178 )
23X-RAY DIFFRACTION23chain 'F' and (resid 3 through 11 )
24X-RAY DIFFRACTION24chain 'F' and (resid 12 through 23 )
25X-RAY DIFFRACTION25chain 'F' and (resid 24 through 37 )
26X-RAY DIFFRACTION26chain 'F' and (resid 38 through 58 )
27X-RAY DIFFRACTION27chain 'F' and (resid 59 through 74 )
28X-RAY DIFFRACTION28chain 'F' and (resid 75 through 86 )
29X-RAY DIFFRACTION29chain 'F' and (resid 87 through 96 )
30X-RAY DIFFRACTION30chain 'F' and (resid 97 through 119 )
31X-RAY DIFFRACTION31chain 'F' and (resid 120 through 135 )
32X-RAY DIFFRACTION32chain 'F' and (resid 136 through 153 )
33X-RAY DIFFRACTION33chain 'F' and (resid 154 through 182 )
34X-RAY DIFFRACTION34chain 'G' and (resid 66 through 116 )
35X-RAY DIFFRACTION35chain 'G' and (resid 117 through 167 )
36X-RAY DIFFRACTION36chain 'G' and (resid 168 through 237 )
37X-RAY DIFFRACTION37chain 'H' and (resid 67 through 78 )
38X-RAY DIFFRACTION38chain 'H' and (resid 79 through 124 )
39X-RAY DIFFRACTION39chain 'H' and (resid 132 through 150 )
40X-RAY DIFFRACTION40chain 'H' and (resid 151 through 167 )
41X-RAY DIFFRACTION41chain 'H' and (resid 168 through 200 )
42X-RAY DIFFRACTION42chain 'H' and (resid 201 through 213 )
43X-RAY DIFFRACTION43chain 'H' and (resid 214 through 237 )
44X-RAY DIFFRACTION44chain 'I' and (resid 66 through 106 )
45X-RAY DIFFRACTION45chain 'I' and (resid 107 through 141 )
46X-RAY DIFFRACTION46chain 'I' and (resid 142 through 167 )
47X-RAY DIFFRACTION47chain 'I' and (resid 168 through 237 )
48X-RAY DIFFRACTION48chain 'J' and (resid 66 through 106 )
49X-RAY DIFFRACTION49chain 'J' and (resid 107 through 158 )
50X-RAY DIFFRACTION50chain 'J' and (resid 159 through 186 )
51X-RAY DIFFRACTION51chain 'J' and (resid 187 through 200 )
52X-RAY DIFFRACTION52chain 'J' and (resid 201 through 237 )
53X-RAY DIFFRACTION53chain 'K' and (resid 66 through 78 )
54X-RAY DIFFRACTION54chain 'K' and (resid 79 through 95 )
55X-RAY DIFFRACTION55chain 'K' and (resid 96 through 106 )
56X-RAY DIFFRACTION56chain 'K' and (resid 107 through 118 )
57X-RAY DIFFRACTION57chain 'K' and (resid 134 through 141 )
58X-RAY DIFFRACTION58chain 'K' and (resid 142 through 158 )
59X-RAY DIFFRACTION59chain 'K' and (resid 159 through 167 )
60X-RAY DIFFRACTION60chain 'K' and (resid 168 through 186 )
61X-RAY DIFFRACTION61chain 'K' and (resid 187 through 200 )
62X-RAY DIFFRACTION62chain 'K' and (resid 201 through 213 )
63X-RAY DIFFRACTION63chain 'K' and (resid 214 through 225 )
64X-RAY DIFFRACTION64chain 'K' and (resid 226 through 237 )
65X-RAY DIFFRACTION65chain 'L' and (resid 66 through 78 )
66X-RAY DIFFRACTION66chain 'L' and (resid 79 through 95 )
67X-RAY DIFFRACTION67chain 'L' and (resid 96 through 106 )
68X-RAY DIFFRACTION68chain 'L' and (resid 107 through 116 )
69X-RAY DIFFRACTION69chain 'L' and (resid 135 through 141 )
70X-RAY DIFFRACTION70chain 'L' and (resid 142 through 150 )
71X-RAY DIFFRACTION71chain 'L' and (resid 151 through 158 )
72X-RAY DIFFRACTION72chain 'L' and (resid 159 through 167 )
73X-RAY DIFFRACTION73chain 'L' and (resid 168 through 186 )
74X-RAY DIFFRACTION74chain 'L' and (resid 187 through 200 )
75X-RAY DIFFRACTION75chain 'L' and (resid 201 through 213 )
76X-RAY DIFFRACTION76chain 'L' and (resid 214 through 225 )
77X-RAY DIFFRACTION77chain 'L' and (resid 226 through 237 )

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