PDB-5j3x: Structure of c-CBL Y371F

ID or keywords:

Entry

Database: PDB / ID: 5j3x

Title

Structure of c-CBL Y371F

Components

E3 ubiquitin-protein ligase CBL

Keywords

LIGASE /

UBIQUITIN LIGASE / RING E3

Function / homology

Function and homology information

regulation of platelet-derived growth factor receptor-alpha signaling pathway / ubiquitin-dependent endocytosis / regulation of Rap protein signal transduction / entry of bacterium into host cell /

flotillin complex / phosphatidylinositol 3-kinase regulatory subunit binding / positive regulation of epidermal growth factor receptor signaling pathway / Regulation of KIT signaling / mast cell degranulation / response to testosterone ...regulation of platelet-derived growth factor receptor-alpha signaling pathway / ubiquitin-dependent endocytosis / regulation of Rap protein signal transduction / entry of bacterium into host cell /

flotillin complex / phosphatidylinositol 3-kinase regulatory subunit binding / positive regulation of epidermal growth factor receptor signaling pathway / Regulation of KIT signaling / mast cell degranulation / response to testosterone / Interleukin-6 signaling / negative regulation of epidermal growth factor receptor signaling pathway / response to starvation / cellular response to platelet-derived growth factor stimulus / protein monoubiquitination / TGF-beta receptor signaling activates SMADs / protein autoubiquitination / FLT3 signaling by CBL mutants / PTK6 Regulates RTKs and Their Effectors AKT1 and DOK1 / Negative regulation of FLT3 / phosphotyrosine residue binding /

ephrin receptor binding / cellular response to nerve growth factor stimulus / InlB-mediated entry of Listeria monocytogenes into host cell / response to activity / Regulation of signaling by CBL / Negative regulation of FGFR3 signaling / response to gamma radiation / Negative regulation of FGFR2 signaling / Negative regulation of FGFR4 signaling / EGFR downregulation / Negative regulation of FGFR1 signaling / Spry regulation of FGF signaling / RING-type E3 ubiquitin transferase / Constitutive Signaling by EGFRvIII /

cilium / Negative regulation of MET activity /

receptor tyrosine kinase binding /

SH3 domain binding / protein polyubiquitination / positive regulation of receptor-mediated endocytosis / cytokine-mediated signaling pathway / ubiquitin-protein transferase activity / male gonad development / Signaling by CSF1 (M-CSF) in myeloid cells /

ubiquitin protein ligase activity / Cargo recognition for clathrin-mediated endocytosis / Constitutive Signaling by Ligand-Responsive EGFR Cancer Variants /

Clathrin-mediated endocytosis /

growth cone / ubiquitin-dependent protein catabolic process / cellular response to hypoxia / response to ethanol / positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction / protein ubiquitination /

cadherin binding /

membrane raft /

focal adhesion / DNA damage response /

calcium ion binding / negative regulation of apoptotic process / perinuclear region of cytoplasm /

Golgi apparatus /

signal transduction /

plasma membrane /

cytosol
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.822 Å

Authors

Huang, D.T. / Buetow, L. / Dou, H.

Funding support

United Kingdom, 2items

Citation

Journal: Bmc Biol. / Year: 2016
Title: Casitas B-lineage lymphoma linker helix mutations found in myeloproliferative neoplasms affect conformation.
Authors: Buetow, L. / Tria, G. / Ahmed, S.F. / Hock, A. / Dou, H. / Sibbet, G.J. / Svergun, D.I. / Huang, D.T.

History

Deposition	Mar 31, 2016	Deposition site: RCSB / Processing site: PDBE
Revision 1.0	Sep 21, 2016	Provider: repository / Type: Initial release
Revision 1.1	Jan 10, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / diffrn_radiation_wavelength / pdbx_initial_refinement_model / struct_conn Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_dist_value / _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

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5j3x.cif.gz	931.2 KB	Display	PDBx/mmCIF format
PDB format	pdb5j3x.ent.gz	789.8 KB	Display	PDB format
PDBx/mmJSON format	5j3x.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/j3/5j3x ftp://data.pdbj.org/pub/pdb/validation_reports/j3/5j3x	HTTPS FTP

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Related structure data

Related structure data	2y1mS S: Starting model for refinement
Similar structure data	2y1m-3 2y1m-2 2y1m-5 2y1m-1 5zz7-d 2y1m-4 2y1m-6 2y1n-2 5cv3-1 6gme-d Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

Related structure data

2y1mS

S: Starting model for refinement

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#60 - Dec 2004 Ubiquitin similarity (7) #234 - Jun 2019 MDM2 and Cancer similarity (4) #148 - Apr 2012 Ras Protein similarity (1) #43 - Jul 2003 Src Tyrosine Kinase similarity (1) #81 - Sep 2006 Elongation Factors similarity (1) #122 - Feb 2010 Enhanceosome similarity (1) #163 - Jul 2013 HIV Capsid similarity (2) #56 - Aug 2004 Caspases similarity (1)

Deposited unit

A: E3 ubiquitin-protein ligase CBL

B: E3 ubiquitin-protein ligase CBL

C: E3 ubiquitin-protein ligase CBL

D: E3 ubiquitin-protein ligase CBL

E: E3 ubiquitin-protein ligase CBL

F: E3 ubiquitin-protein ligase CBL

hetero molecules

271 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: E3 ubiquitin-protein ligase CBL

hetero molecules

defined by author
45.2 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: E3 ubiquitin-protein ligase CBL

hetero molecules

defined by author
45.2 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: E3 ubiquitin-protein ligase CBL

hetero molecules

defined by author
45.2 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

D: E3 ubiquitin-protein ligase CBL

hetero molecules

defined by author
45.2 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

5

E: E3 ubiquitin-protein ligase CBL

hetero molecules

defined by author
45.2 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

6

F: E3 ubiquitin-protein ligase CBL

hetero molecules

defined by author
45.2 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	147.842, 149.040, 344.118
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	20
Space group name H-M	C222₁

#1: Protein	E3 ubiquitin-protein ligase CBL / Casitas B-lineage lymphoma proto-oncogene / Proto-oncogene c-Cbl / RING finger protein 55 / Signal ...Casitas B-lineage lymphoma proto-oncogene / Proto-oncogene c-Cbl / RING finger protein 55 / Signal transduction protein CBL Mass: 45056.824 Da / Num. of mol.: 6 / Fragment: UNP residues 47-435 / Mutation: Y371F Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: CBL, CBL2, RNF55 / Plasmid: pGEX4T1 TEV / Production host: Escherichia coli BL21(DE3) (bacteria) References: UniProt: P22681, Ligases; Forming carbon-nitrogen bonds; Acid-amino-acid ligases (peptide synthases)
#2: Chemical	ChemComp-ZN / ZINC ION Mass: 65.409 Da / Num. of mol.: 12 Source method: isolated from a genetically manipulated source Formula: Zn
#3: Chemical	ChemComp-CA / CALCIUM ION Mass: 40.078 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Ca
#4: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 94 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 3.22 Å³/Da / Density % sol: 61.79 %
Crystal grow	Temperature: 281.15 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: Equal volume protein at 10 mg/mL + well containing 3.0-3.1 M sodium formate 0.1 M Tris-HCl, pH 8.5 5 mM DTT

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.9763 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Oct 21, 2010
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9763 Å / Relative weight: 1
Reflection	Resolution: 2.82→105 Å / Num. obs: 91407 / % possible obs: 99.9 % / Redundancy: 4.6 % / R_merge(I) obs: 0.075 / Net I/σ(I): 9.7
Reflection shell	Resolution: 2.82→2.9 Å / Redundancy: 4.7 % / R_merge(I) obs: 0.489 / Mean I/σ(I) obs: 2.4 / % possible all: 100

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Processing

Software

Name	Version	Classification
PHENIX	1.9_1692	refinement
XDS		data reduction
xia2		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 2Y1M

2y1m

Resolution: 2.822→50.371 Å / SU ML: 0.4 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 32.95

	R_factor	Num. reflection	% reflection
R_free	0.2541	4533	4.98 %
R_work	0.2124	-	-
obs	0.2145	90968	99.57 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å

Refinement step

Cycle: LAST / Resolution: 2.822→50.371 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	18172	0	18	94	18284

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.002	18727
X-RAY DIFFRACTION	f_angle_d	0.544	25445
X-RAY DIFFRACTION	f_dihedral_angle_d	10.425	6731
X-RAY DIFFRACTION	f_chiral_restr	0.021	2787
X-RAY DIFFRACTION	f_plane_restr	0.004	3244

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
2.822-2.8541	0.442	156	0.3874	2852	X-RAY DIFFRACTION	100
2.8541-2.8876	0.3815	128	0.3591	2850	X-RAY DIFFRACTION	100
2.8876-2.9229	0.3706	142	0.3345	2890	X-RAY DIFFRACTION	99
2.9229-2.9598	0.3314	176	0.3299	2800	X-RAY DIFFRACTION	100
2.9598-2.9988	0.3391	137	0.3068	2905	X-RAY DIFFRACTION	99
2.9988-3.0399	0.3552	150	0.3	2796	X-RAY DIFFRACTION	99
3.0399-3.0833	0.3342	138	0.2997	2913	X-RAY DIFFRACTION	100
3.0833-3.1293	0.3747	148	0.2797	2822	X-RAY DIFFRACTION	100
3.1293-3.1782	0.2765	156	0.2634	2886	X-RAY DIFFRACTION	100
3.1782-3.2303	0.3502	155	0.2676	2843	X-RAY DIFFRACTION	100
3.2303-3.286	0.3409	158	0.259	2873	X-RAY DIFFRACTION	100
3.286-3.3457	0.2958	128	0.2565	2826	X-RAY DIFFRACTION	99
3.3457-3.4101	0.295	137	0.2491	2895	X-RAY DIFFRACTION	100
3.4101-3.4796	0.2864	148	0.2392	2855	X-RAY DIFFRACTION	100
3.4796-3.5553	0.2855	151	0.2411	2865	X-RAY DIFFRACTION	99
3.5553-3.638	0.2424	135	0.2331	2895	X-RAY DIFFRACTION	100
3.638-3.7289	0.2889	141	0.2178	2895	X-RAY DIFFRACTION	100
3.7289-3.8297	0.2649	157	0.2123	2833	X-RAY DIFFRACTION	99
3.8297-3.9424	0.2788	131	0.2114	2891	X-RAY DIFFRACTION	100
3.9424-4.0696	0.2432	145	0.199	2890	X-RAY DIFFRACTION	100
4.0696-4.2149	0.2373	158	0.1888	2901	X-RAY DIFFRACTION	100
4.2149-4.3836	0.2191	157	0.1837	2898	X-RAY DIFFRACTION	100
4.3836-4.583	0.2298	174	0.1772	2851	X-RAY DIFFRACTION	100
4.583-4.8244	0.2267	150	0.18	2891	X-RAY DIFFRACTION	100
4.8244-5.1264	0.2212	177	0.1815	2880	X-RAY DIFFRACTION	100
5.1264-5.5218	0.2263	145	0.1866	2939	X-RAY DIFFRACTION	100
5.5218-6.0766	0.2225	146	0.2097	2881	X-RAY DIFFRACTION	99
6.0766-6.9539	0.2409	192	0.204	2929	X-RAY DIFFRACTION	100
6.9539-8.7538	0.2515	145	0.1756	2987	X-RAY DIFFRACTION	100
8.7538-50.3794	0.1826	172	0.1619	3003	X-RAY DIFFRACTION	98

Refinement TLS params.

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

ID	L11 (°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)
1	2.615	0.3426	0.2956	1.6856	-1.1658	2.3383	-0.2341	-0.2549	0.2158	-0.1958	0.2808	0.0198	-0.0501	0.1602	-0.0304	0.7055	-0.1054	-0.0119	0.9269	-0.1561	0.36	-9.5841	-67.3633	5.5797
2	3.9875	0.1942	-0.8906	2.4497	0.0164	3.6458	0.166	0.5364	-0.3324	-0.0361	-0.069	0.3689	0.2157	-0.4611	-0.1704	0.6069	-0.103	-0.0418	0.7992	-0.0637	0.4319	-21.0501	-73.4556	9.6788
3	5.0557	1.0331	-0.637	2.1855	-0.271	3.4446	0.2579	-0.0244	0.3788	-0.1783	0.078	-0.1603	-0.467	0.5858	-0.3234	0.6626	-0.2055	-0.0253	0.8173	-0.1034	0.5248	-6.4469	-62.2954	10.7562
4	2.1426	0.6166	-0.1961	1.1459	0.1486	3.0132	-0.0775	-0.0383	0.0169	0.0191	-0.0164	0.1011	0.1664	0.1178	0.0657	0.719	-0.2742	-0.0808	0.8314	-0.1196	0.1484	-9.5652	-71.2178	16.406
5	1.9417	-0.1546	-0.2105	1.3691	-0.0908	1.3807	0.2666	-0.3019	-0.127	0.6258	-0.1422	0.1905	-0.0459	-0.1285	-0.1091	0.8181	-0.3286	-0.0643	0.8038	-0.0564	0.4322	-11.8283	-68.6893	34.3607
6	1.4406	-1.0756	0.6177	1.6023	0.3702	2.0336	0.4609	-0.2671	-0.837	0.6	-0.3071	-0.6034	0.27	0.2231	-0.16	0.7784	-0.3417	-0.2971	0.7593	0.122	1.0827	8.431	-81.3185	31.9132
7	1.9419	-4.1331	0.0006	8.7955	-0.0009	-0.0003	-0.1256	-0.7525	-0.3963	1.2564	0.0193	0.4872	0.234	-1.0871	0.1129	1.1879	-0.5366	-0.3067	1.5376	0.0136	0.8015	-2.1621	-75.4635	50.5879
8	1.9401	-0.6057	0.3187	1.4816	-0.8611	1.6548	0.2997	-0.0033	-0.1484	0.2655	-0.1566	0.0794	-0.0391	-0.0166	-0.0692	0.8469	-0.3517	-0.1021	0.8594	-0.0486	0.8819	0.9401	-51.1502	27.7783
9	1.0593	0.6391	-0.9373	2.5283	0.2294	2.2597	0.0969	-0.2828	0.3427	-0.3579	-0.204	0.3823	-0.088	-0.0003	0.0701	0.949	-0.1123	-0.357	0.949	0.0093	1.0186	66.5685	-66.7901	80.7266
10	2.2595	0.7234	-0.2798	2.9414	-0.1959	2.9392	0.0277	-0.5169	0.3186	0.3001	0.1293	0.0655	-0.6598	0.4198	-0.1617	0.7966	-0.1636	-0.304	0.8278	0.0303	1.1123	72.6994	-55.3473	76.8932
11	2.029	1.5756	-0.9475	1.5283	0.1339	2.9371	-0.3921	0.3389	0.6593	-0.0839	0.1788	0.237	0.2609	-0.3145	0.1561	0.8541	-0.1903	-0.3596	0.7699	0.1104	0.8698	61.4657	-69.2759	75.5609
12	1.5477	0.0917	-0.6693	2.9693	-0.8131	2.5394	-0.2752	0.137	0.4767	-0.1909	0.0519	-0.1601	0.0749	0.0158	0.2052	0.8288	-0.2191	-0.388	0.7112	0.124	0.6886	70.1284	-66.3684	69.7931
13	1.8304	-0.3911	-0.3495	0.5768	0.2541	1.2685	-0.3991	0.5808	1.0927	-0.4309	0.3171	0.3491	-0.2434	0.1166	0.0768	1.0178	-0.418	-0.5237	0.922	0.431	1.082	67.0303	-63.4801	51.9315
14	1.8981	-0.6063	0.3553	1.6107	0.1225	1.2874	-0.29	0.3479	0.08	-0.0879	0.2142	-0.1132	0.0271	0.0152	0.1333	0.8806	-0.4262	-0.3152	0.8746	0.2507	0.795	79.7059	-83.9814	53.4178
15	1.6034	-2.3271	-0.7038	3.9718	1.2217	0.3764	0.3663	1.5899	1.1334	-1.6941	0.0535	0.1883	-0.917	-0.8399	-0.411	1.3829	-0.4542	-0.2913	1.2687	0.3524	0.7483	67.5864	-74.6051	36.7694
16	1.0599	-0.0791	-0.5856	1.1095	-0.1282	1.7291	-0.1998	-0.0833	0.7885	-0.0459	0.2832	-0.1258	-0.0931	-0.2496	-0.013	1.0371	-0.4074	-0.4655	1.0755	0.1707	1.3076	49.0938	-76.7312	60.3983
17	2.5659	0.2308	0.0581	1.7002	-0.6362	2.4619	-0.368	-0.1797	0.3926	-0.5539	0.001	0.2022	0.0117	0.4532	0.3121	1.2992	-0.4862	-0.6343	1.1658	0.5364	1.1146	35.62	-84.8828	33.636
18	4.927	-0.0853	-2.5147	1.8	-0.3739	2.1509	0.0529	0.14	0.8283	-0.4262	-0.1031	0.2087	-0.2834	0.4862	0.0028	1.2974	-0.5626	-0.7324	1.2851	0.5681	1.335	47.8983	-80.1005	32.7323
19	2.9353	-0.7096	0.4361	1.2521	-0.0555	1.4214	0.1706	0.1635	-0.4216	0.0455	-0.1787	0.1855	0.1406	-0.1924	-0.1871	1.2679	-0.6649	-0.6438	1.3349	0.5294	0.922	35.1065	-93.0901	34.9131
20	1.4134	0.1859	0.7327	0.6723	0.0391	1.0376	-0.1386	0.2046	0.147	-0.0756	0.1471	-0.1473	-0.0837	0.0425	0.2135	1.0367	-0.6592	-0.7764	1.225	0.512	0.9002	43.9034	-88.8876	40.9595
21	0.7497	-0.2939	-0.236	2.0929	0.1689	0.7527	-0.1588	0.2879	0.0929	-0.5939	0.1828	-0.3593	0.13	0.01	0.0349	1.0899	-0.4709	-0.3564	1.0149	0.2795	0.7108	55.9562	-101.7876	46.3026
22	1.347	-0.6418	-0.7802	1.7939	0.2287	2.1187	0.0168	-0.2926	0.6399	0.3447	-0.0285	-0.0037	0.3826	-0.4675	0.0195	0.9731	-0.445	-0.4319	0.9782	0.1885	0.9133	43.0181	-96.638	65.7066
23	0.1162	-0.4848	-0.6631	4.4023	4.4365	5.2701	0.306	-0.0135	-0.4933	-0.3502	0.6089	-0.7558	0.8131	1.5754	-0.8127	1.024	-0.2404	-0.3735	1.0702	0.2518	1.0899	57.174	-113.3599	61.2229
24	1.3739	1.235	0.3962	1.4056	-0.3731	2.1652	-0.4032	0.2089	0.2858	-1.2196	0.3814	0.6299	0.2432	-0.2452	-0.0679	1.676	-0.9173	-0.6507	1.1682	0.5152	1.0924	36.5228	-113.4032	39.4847
25	3.2186	-0.4537	0.5535	3.0607	0.4509	2.6821	-0.3993	0.0467	0.0025	-1.044	0.2236	-0.1934	-0.298	-0.136	0.2557	1.122	-0.3317	-0.0423	0.9099	0.0003	0.8127	43.3962	-142.0524	49.7289
26	3.5307	-0.1595	0.5236	3.3256	1.4256	1.8357	-0.3926	0.269	0.096	-0.6733	0.756	-0.4381	1.0768	-0.0396	-0.2842	1.014	-0.2957	-0.1114	0.9658	0.1228	0.7271	50.8467	-132.478	54.929
27	2.0129	-0.0063	-0.921	3.3668	0.9323	0.8309	-0.1013	0.215	0.0065	0.1194	0.0638	0.056	1.2031	-0.3754	0.0999	1.2853	-0.3838	-0.1581	0.9305	0.0892	0.4217	36.78	-143.6132	53.839
28	2.4903	0.1921	0.3858	1.5396	0.5079	1.7321	-0.6086	-0.4493	0.3802	-0.4236	0.1295	-0.0836	-0.417	0.1837	0.3867	1.0336	-0.36	-0.3636	0.8221	0.1824	0.6635	38.1839	-132.472	53.4907
29	2.136	0.8983	-0.3413	1.5226	0.5594	1.3638	-0.1184	-0.0003	1.2505	-0.0646	0.3148	1.0032	-0.1096	0.093	-0.1645	0.8486	-0.2775	-0.3565	0.8398	0.1847	1.1847	28.1571	-123.7125	65.9517
30	1.1884	0.2324	-0.5132	0.2195	-0.2263	0.3225	-0.0103	0.6855	0.8565	-0.7217	0.5928	0.8557	0.0424	-0.3571	0.378	1.5259	-1.0815	-0.9762	1.0987	0.972	2.0464	17.1828	-120.3053	44.7247
31	2.3431	-0.1764	-0.563	0.18	-0.5681	2.6329	-0.1982	-0.654	0.7478	0.5524	-0.0272	-0.1379	-0.8395	-0.3579	0.2071	1.1944	-0.2482	-0.2375	0.9226	0.2136	1.6002	10.5478	-117.0105	66.2981
32	4.0291	-0.4287	0.2542	3.3398	-0.8127	0.8429	-0.3961	0.1398	0.7355	-0.2568	0.1065	-0.0996	-0.2004	0.0436	0.2345	0.7975	-0.3002	-0.2732	0.879	0.2338	0.8083	18.9351	-145.3512	64.2612
33	1.4545	-0.1718	-0.2854	1.8502	0.6248	0.4689	0.113	-0.4655	0.1334	0.8607	-0.4124	0.1225	0.3682	-0.8746	0.1526	1.312	-0.6402	-0.0539	1.2475	-0.1172	0.7902	9.0046	-35.8307	51.9944
34	1.7484	-0.2259	-0.3642	3.3325	-1.0259	1.6983	0.0229	-0.183	-0.336	0.7954	0.047	0.8073	0.6042	-0.5392	-0.0138	1.7573	-0.8345	0.1152	1.2808	-0.1164	0.9544	5.5606	-50.4505	54.2176
35	1.5493	0.3826	-0.9281	2.5725	1.0027	1.1596	0.4685	-0.5946	0.2402	0.2311	-0.2081	-0.5254	-0.2536	0.1225	-0.1183	1.5815	-0.6492	-0.1904	1.1191	0.0396	0.9843	18.3964	-37.5815	51.3211
36	1.6475	-0.1856	-0.1693	2.0577	-0.0036	1.7587	0.155	-0.3519	-0.1671	0.3078	-0.2351	0.2702	0.6731	-0.0499	-0.0031	1.4542	-0.8138	-0.087	1.0313	0.0444	0.7962	13.9106	-45.8822	45.3913
37	0.8892	0.1914	0.1618	1.1611	-0.2279	1.4634	0.2979	-0.5052	-1.2262	0.9268	-0.6126	-1.0216	-0.0131	0.1962	0.2475	1.1558	-0.5078	-0.4354	0.9948	0.2895	1.3837	26.3889	-57.4977	38.8478
38	1.9105	-0.2034	0.2802	1.2169	0.0362	2.2238	-0.0447	0.3019	-0.5293	-0.141	0.0407	-0.1681	-0.2373	0.2779	0.0409	0.8366	-0.3624	-0.1469	0.8808	-0.0131	0.9592	21.0758	-44.6022	20.1965
39	1.6667	-0.4269	-0.2188	0.2902	-0.4291	2.0156	0.4808	-0.5343	-0.6607	0.9074	-0.6032	-0.0823	-0.1083	-0.1455	0.198	1.3868	-0.9908	-0.6298	1.2999	0.3743	1.4726	38.4093	-39.3936	45.0849
40	0.0787	-0.0576	0.1782	0.0421	-0.1294	0.4028	0.1489	-0.4366	-0.7862	0.1684	-0.4621	-0.6403	0.3512	1.0027	0.306	1.2415	0.1189	0.0804	1.8239	0.2735	2.8761	-8.7127	-128.6577	19.2909
41	2.5433	-0.7413	0.0973	1.3893	-0.643	1.6148	-0.1256	-0.864	-0.4292	0.7311	-0.4189	-0.9052	-0.0568	1.0821	0.5098	1.1782	-0.2036	-0.5277	1.5118	0.6236	2.2977	-7.1862	-117.402	39.3778
42	1.9365	1.5641	1.917	1.2601	1.5433	1.9772	0.1096	-0.246	-1.5337	0.2306	-0.4462	-0.2261	0.1744	0.3574	0.0652	0.9958	-0.2949	-0.2213	0.9585	0.3882	3.1569	-17.5395	-126.7837	28.954
43	1.9289	0.1045	0.1151	1.6246	-0.6802	0.6471	-0.1736	-0.0489	-0.3864	0.5943	-0.3269	-0.933	0.0121	0.417	0.257	1.096	-0.359	-0.4261	0.8631	0.5185	2.986	-6.2872	-112.4546	30.8302
44	1.3322	0.021	-0.3124	0.5712	-0.2111	1.4966	-0.244	-0.1086	-0.0966	0.0045	-0.2178	-0.3371	-0.2461	0.186	0.1357	0.9184	-0.4913	-0.6977	0.8662	0.3981	2.416	-17.3166	-113.887	31.2054
45	2.5778	1.0589	0.3147	1.3092	-0.3483	1.705	0.1898	-0.0315	-1.489	0.2211	-0.2701	-1.1649	0.269	-0.0098	0.1529	0.7061	-0.2584	-0.1107	0.7539	0.0145	1.0667	-26.6171	-103.2122	19.8539
46	1.1074	-0.4143	-0.9351	1.7401	0.4164	1.1058	0.9119	-1.0028	-0.6567	1.1487	-0.6903	-0.4453	-0.0483	-0.0828	-0.0748	1.2212	-0.8101	-0.4005	1.1817	0.2659	0.9799	-29.6171	-92.9212	40.435
47	2.2803	-1.1786	-0.3916	1.7694	0.1939	2.1216	0.3428	-0.0924	-1.181	0.0628	-0.122	0.0148	0.2713	0.0915	-0.2121	0.7472	-0.2517	-0.2777	0.7738	0.0575	1.3615	-6.6508	-93.242	20.8374

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 47 through 82 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 83 through 112 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 113 through 145 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 146 through 175 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 176 through 267 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 268 through 350 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 351 through 356 )
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 360 through 435 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 47 through 82 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 83 through 112 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 113 through 145 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 146 through 175 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 176 through 267 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 268 through 350 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 351 through 364 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 365 through 435 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 47 through 82 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 83 through 112 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 113 through 145 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 146 through 175 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 176 through 267 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 268 through 350 )
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 351 through 364 )
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 365 through 435 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 47 through 82 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 83 through 112 )
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 113 through 145 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 146 through 175 )
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 176 through 267 )
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 268 through 350 )
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 351 through 364 )
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 365 through 435 )
33	X-RAY DIFFRACTION	33	chain 'E' and (resid 51 through 82 )
34	X-RAY DIFFRACTION	34	chain 'E' and (resid 83 through 112 )
35	X-RAY DIFFRACTION	35	chain 'E' and (resid 113 through 145 )
36	X-RAY DIFFRACTION	36	chain 'E' and (resid 146 through 175 )
37	X-RAY DIFFRACTION	37	chain 'E' and (resid 176 through 267 )
38	X-RAY DIFFRACTION	38	chain 'E' and (resid 268 through 354 )
39	X-RAY DIFFRACTION	39	chain 'E' and (resid 359 through 435 )
40	X-RAY DIFFRACTION	40	chain 'F' and (resid 50 through 54 )
41	X-RAY DIFFRACTION	41	chain 'F' and (resid 55 through 82 )
42	X-RAY DIFFRACTION	42	chain 'F' and (resid 83 through 112 )
43	X-RAY DIFFRACTION	43	chain 'F' and (resid 113 through 145 )
44	X-RAY DIFFRACTION	44	chain 'F' and (resid 146 through 175 )
45	X-RAY DIFFRACTION	45	chain 'F' and (resid 176 through 267 )
46	X-RAY DIFFRACTION	46	chain 'F' and (resid 268 through 356 )
47	X-RAY DIFFRACTION	47	chain 'F' and (resid 359 through 435 )

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