PDB-8u15: The ternary complex structure of DDB1-CRBN-SALL4(ZF1,2)-short bou...

ID or keywords:

Entry

Database: PDB / ID: 8u15

Title

The ternary complex structure of DDB1-CRBN-SALL4(ZF1,2)-short bound to CC-220

Components

DDB1
Protein cereblon
Sal-like protein 4

Keywords

LIGASE / Complex / glue

Function / homology

Function and homology information

POU5F1 (OCT4), SOX2, NANOG activate genes related to proliferation / negative regulation of monoatomic ion transmembrane transport / Transcriptional regulation of pluripotent stem cells / embryonic limb morphogenesis / ventricular septum development / inner cell mass cell proliferation / Cul4A-RING E3 ubiquitin ligase complex / locomotory exploration behavior / somatic stem cell population maintenance / positive regulation of Wnt signaling pathway ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.95 Å

Authors

Clifton, M.C. / Ma, X. / Ornelas, E.

Funding support

United States, 1items

Citation

Journal: Sci Rep / Year: 2023
Title: Structural and biophysical comparisons of the pomalidomide- and CC-220-induced interactions of SALL4 with cereblon.
Authors: Ma, X. / Leon, B. / Ornelas, E. / Dovala, D. / Tandeske, L. / Luu, C. / Pardee, G. / Widger, S. / Solomon, J.M. / Beckwith, R.E.J. / Moser, H. / Clifton, M.C. / Wartchow, C.A.

History

Deposition	Aug 30, 2023	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Dec 27, 2023	Provider: repository / Type: Initial release
Revision 1.1	Oct 16, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	8u15.cif.gz	957.8 KB	Display	PDBx/mmCIF format
PDB format	pdb8u15.ent.gz	784.2 KB	Display	PDB format
PDBx/mmJSON format	8u15.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/u1/8u15 ftp://data.pdbj.org/pub/pdb/validation_reports/u1/8u15	HTTPS FTP

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Related structure data

Related structure data	8u16C 8u17C C: citing same article (ref.)
Similar structure data	Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#87 - Mar 2007 Zinc Fingers similarity (6) #112 - Apr 2009 Oct and Sox Transcription Factors similarity (8) #257 - May 2021 Fetal Hemoglobin similarity (6) #116 - Aug 2009 Sulfotransferases similarity (1) #122 - Feb 2010 Enhanceosome similarity (4) #245 - May 2020 Spliceosomes similarity (1)

Deposited unit

A: Protein cereblon

B: DDB1

C: Sal-like protein 4

D: Protein cereblon

E: DDB1

F: Sal-like protein 4

hetero molecules

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

1

A: Protein cereblon

B: DDB1

C: Sal-like protein 4

hetero molecules

defined by author&software
Evidence: homology
144 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

D: Protein cereblon

E: DDB1

F: Sal-like protein 4

hetero molecules

defined by author&software
144 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	110.729, 95.727, 150.947
Angle α, β, γ (deg.)	90.00, 91.72, 90.00
Int Tables number	4
Space group name H-M	P12₁1

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Protein , 3 types, 6 molecules ADBECF

#1: Protein	Protein cereblon Mass: 42971.574 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: CRBN / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: Q96SW2
#2: Protein	DDB1 Mass: 93347.078 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Spodoptera frugiperda (fall armyworm)
#3: Protein	Sal-like protein 4 / Zinc finger protein 797 / Zinc finger protein SALL4 Mass: 6417.460 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: SALL4, ZNF797 / Production host: Escherichia coli (E. coli) / References: UniProt: Q9UJQ4

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Non-polymers , 4 types, 33 molecules

#4: Chemical	ChemComp-ZN / ZINC ION Mass: 65.409 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Zn
#5: Chemical	ChemComp-8W7 / (3S)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione Mass: 449.499 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₂₅H₂₇N₃O₅ / Feature type: SUBJECT OF INVESTIGATION
#6: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: SO₄
#7: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 13 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	Y
Has protein modification	Y

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.78 Å³/Da / Density % sol: 55.72 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, sitting drop / Details: 0.2M Sodium malonate, 20% PEG 3350

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 17-ID / Wavelength: 1 Å
Detector	Type: ADSC QUANTUM 210 / Detector: CCD / Date: Nov 26, 2019
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.95→95.73 Å / Num. obs: 66770 / % possible obs: 100 % / Redundancy: 6.9 % / CC_1/2: 0.986 / R_merge(I) obs: 0.1038 / R_pim(I) all: 0.128 / R_rim(I) all: 0.339 / R_sym value: 0.9371 / Χ²: 0.98 / Net I/σ(I): 5.1 / Num. measured all: 462088
Reflection shell	Resolution: 2.95→3.02 Å / % possible obs: 100 % / Redundancy: 7.2 % / R_merge(I) obs: 2.947 / Num. measured all: 32233 / Num. unique obs: 4494 / CC_1/2: 0.345 / R_pim(I) all: 1.182 / R_rim(I) all: 3.177 / Χ²: 0.99 / Net I/σ(I) obs: 0.8

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Processing

Software

Name	Version	Classification
PHENIX	(1.20.1_4487: ???)	refinement
pointless		data scaling
XDS		data reduction
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.95→61.48 Å / SU ML: 0.48 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 28 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.272	3228	4.84 %
R_work	0.2197	-	-
obs	0.2222	66670	99.88 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL

Refinement step

Cycle: LAST / Resolution: 2.95→61.48 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	18403	0	132	13	18548

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.002	18901
X-RAY DIFFRACTION	f_angle_d	0.516	25696
X-RAY DIFFRACTION	f_dihedral_angle_d	7.647	2582
X-RAY DIFFRACTION	f_chiral_restr	0.044	2952
X-RAY DIFFRACTION	f_plane_restr	0.004	3284

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 (%)
2.95-2.99	0.426	164	0.378	2753	X-RAY DIFFRACTION	100
2.99-3.04	0.3717	155	0.3486	2667	X-RAY DIFFRACTION	100
3.04-3.09	0.3731	132	0.3219	2794	X-RAY DIFFRACTION	100
3.09-3.14	0.4207	150	0.317	2701	X-RAY DIFFRACTION	100
3.14-3.2	0.3361	158	0.3024	2726	X-RAY DIFFRACTION	100
3.2-3.26	0.3322	140	0.2785	2748	X-RAY DIFFRACTION	100
3.26-3.33	0.3387	143	0.2698	2732	X-RAY DIFFRACTION	100
3.33-3.4	0.3483	167	0.2648	2739	X-RAY DIFFRACTION	100
3.4-3.48	0.3329	146	0.2685	2712	X-RAY DIFFRACTION	100
3.48-3.57	0.3242	133	0.2687	2785	X-RAY DIFFRACTION	100
3.57-3.66	0.2888	130	0.2369	2765	X-RAY DIFFRACTION	100
3.66-3.77	0.2718	129	0.2259	2745	X-RAY DIFFRACTION	100
3.77-3.89	0.3048	170	0.2118	2697	X-RAY DIFFRACTION	100
3.89-4.03	0.2514	145	0.2125	2740	X-RAY DIFFRACTION	100
4.03-4.19	0.2442	136	0.1946	2787	X-RAY DIFFRACTION	100
4.19-4.39	0.1991	138	0.1878	2760	X-RAY DIFFRACTION	100
4.39-4.62	0.2215	144	0.1659	2773	X-RAY DIFFRACTION	100
4.62-4.91	0.1772	113	0.1648	2764	X-RAY DIFFRACTION	100
4.91-5.28	0.222	124	0.1733	2815	X-RAY DIFFRACTION	100
5.28-5.82	0.2276	122	0.1996	2786	X-RAY DIFFRACTION	100
5.82-6.66	0.2289	116	0.2198	2821	X-RAY DIFFRACTION	100
6.66-8.38	0.2537	136	0.2244	2798	X-RAY DIFFRACTION	100
8.38-61.48	0.2827	137	0.1884	2834	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	8.8091	0.8322	-6.7559	7.035	-0.8481	5.3729	0.6059	0.1603	-0.0171	0.0136	0.0958	0.2915	-0.3292	-0.6395	-0.6309	0.5609	0.1012	0.0169	0.5439	0.0965	0.5244	-36.0085	-5.6016	-45.5199
2	3.059	1.2093	-3.6848	4.83	-0.399	4.6888	0.7722	0.099	0.4834	0.9048	-0.4779	-0.0706	-0.5117	-0.716	-0.2752	0.6893	0.0413	-0.0834	0.6419	0.0939	0.5633	-34.9808	-13.7479	-32.4728
3	3.1021	0.312	0.544	8.3373	-0.6547	7.0955	0.0403	0.4016	0.0823	-0.5909	0.3652	-0.19	0.1107	-0.1688	-0.4493	0.2517	-0.0335	0.0268	0.5453	-0.0375	0.4905	-33.8099	-9.6888	-40.597
4	0.8748	1.1127	-1.5254	1.4686	-2.246	6.5395	-0.0105	0.0812	0.0878	-0.0207	0.0776	-0.0322	-0.1388	-0.2061	-0.0384	0.6894	0.1052	-0.0185	0.3859	-0.0563	0.5521	-26.344	-5.4458	-57.5506
5	1.6249	0.1786	0.8144	0.7713	-2.1821	8.8271	0.0995	0.0312	-0.279	-0.1292	-0.004	-0.3248	0.9237	0.8283	-0.1367	0.5825	0.0993	-0.0579	0.4545	-0.078	0.5201	-14.6932	-0.379	-61.2831
6	3.2777	-0.4883	2.6854	1.7139	-1.4016	7.4855	0.1184	-0.0335	0.0584	0.0159	-0.1075	-0.1144	-0.8196	0.2653	0.0008	0.5707	-0.0279	0.0566	0.4119	-0.068	0.5356	-15.2207	5.2309	-46.6031
7	2.3677	-0.8703	1.9012	3.1466	-0.5284	3.7646	-0.2109	-0.0819	0.1173	0.2066	-0.0109	-0.2446	-0.1028	0.0516	0.2158	0.5163	-0.0146	-0.0191	0.3688	-0.0215	0.4166	-9.6326	-0.3877	-33.0179
8	2.7735	-1.3974	-0.5832	2.919	1.3335	2.249	0.1039	0.3419	-0.1272	-0.6353	-0.0398	0.0338	-0.0849	-0.1206	-0.0347	0.6724	-0.0259	-0.0647	0.6602	-0.0889	0.497	-36.224	-1.5615	-97.3501
9	4.6007	-2.4453	1.8891	4.1515	-1.2547	5.711	0.1438	0.1503	-0.354	0.5157	-0.2088	0.3698	0.0136	0.0933	0.0747	0.647	-0.2054	0.1121	0.6339	-0.0599	0.5908	-37.6377	-14.5359	-87.2916
10	3.786	-0.3149	0.3905	5.047	0.9652	4.3317	-0.0818	-0.2298	-0.4469	0.994	0.161	-0.1689	1.2397	0.1275	-0.0898	1.0757	0.044	0.0771	0.4544	-0.0561	0.6397	-21.9092	-24.024	-84.9863
11	7.6474	-2.358	-0.1969	5.0909	-1.8514	5.0259	0.0156	-0.0334	-0.6507	-0.2383	0.015	-0.1341	0.7341	0.2053	-0.0945	0.7647	0.0816	-0.063	0.4768	-0.0782	0.5412	-13.649	-17.5068	-95.6506
12	2.3265	-1.8407	-0.5821	4.0891	-0.4153	0.9628	0.4342	0.3138	-0.1805	-0.6399	-0.3009	-0.0047	0.0482	-0.0377	-0.103	0.6283	-0.0613	0.0274	0.5354	-0.1705	0.5402	-14.8164	-9.3305	-102.6222
13	2.9137	0.1483	-0.4742	5.707	3.9561	6.3746	0.1147	0.4204	0.1374	-0.8604	0.0428	0.0157	-0.6831	0.077	-0.1584	0.7149	-0.0709	0.0963	0.5398	0.0467	0.4031	-18.9833	13.7121	-97.9425
14	3.8973	0.151	1.9749	2.8046	0.6632	2.0835	0.3648	0.1802	-0.0864	-0.3392	-0.0048	-0.5157	-0.331	0.0301	-0.3258	0.8254	-0.081	0.2371	0.5768	-0.0585	0.5679	-10.8843	20.8174	-89.0633
15	1.0191	-0.3601	-0.1745	3.3977	1.1599	4.696	-0.0742	-0.0143	0.2623	-0.4478	0.1749	-0.4068	-0.5701	0.3022	-0.0818	0.566	-0.0791	0.1122	0.4628	-0.0632	0.4897	-10.0047	26.6736	-75.8577
16	1.3566	-0.192	0.7325	2.8177	1.3969	3.5544	0.0813	-0.1942	0.1565	0.0955	-0.1521	0.2605	-0.5069	-0.4904	0.0637	0.4312	0.0525	0.0555	0.5096	-0.0269	0.4097	-29.9189	21.838	-69.3729
17	4.2972	0.628	-0.1311	8.414	1.382	4.4592	0.0765	0.1637	-0.031	0.122	-0.2389	0.6701	0.0753	-0.7212	0.0462	0.4024	0.0036	0.0229	0.7646	-0.1085	0.5368	-47.8421	8.7249	-81.756
18	6.7305	0.3826	-1.5859	3.3491	-0.4118	3.2639	0.2379	1.2771	0.2298	0.0368	-0.3363	0.8126	-0.7166	-0.5908	0.1842	0.7138	0.2016	-0.1367	1.0169	0.0242	0.8161	-57.0326	18.6337	-91.0759
19	6.8764	1.9822	-0.7174	2.0735	0.6423	7.6758	0.315	-0.4918	0.5981	-0.2576	-0.1051	0.6244	1.6978	-0.4766	-0.1615	0.8754	0.0867	-0.1289	0.6366	-0.0316	0.8725	-28.6056	-10.1215	-14.6264
20	1.5125	1.7666	3.5719	5.8574	2.8	8.9407	-0.105	-0.5165	-0.049	-0.5561	-0.7279	0.2158	1.8192	-0.2974	0.7854	1.5284	0.0768	0.0971	0.6664	-0.177	0.7806	-25.5759	-14.3859	-8.3371
21	8.3315	-3.3536	-0.3044	5.9825	-3.4548	2.7632	-0.043	-0.1671	-1.0525	0.703	0.2213	-0.079	1.5222	1.2176	-0.1231	0.7915	0.179	-0.1212	0.5129	-0.1036	0.5967	-16.4697	-2.0125	-14.9296
22	6.7769	-1.9838	1.6697	7.247	0.7482	8.7486	-0.0642	0.1545	0.2786	-0.39	0.2187	0.6654	0.2227	-0.0451	-0.1184	0.7012	-0.0249	-0.1214	0.797	-0.061	0.6457	-22.738	5.0623	-19.6235
23	8.359	-0.1445	4.4308	5.3532	-2.9782	4.8621	-0.02	0.1401	0.0365	-0.197	0.6401	1.012	0.5209	-0.6772	-0.5805	0.5295	-0.0948	-0.0415	0.4963	0.0646	0.6674	-36.7361	56.2675	-28.8943
24	2.1103	0.543	-1.6251	4.6687	-3.3951	7.3545	0.0505	0.0917	-0.1265	-0.2284	0.2074	0.2231	0.5395	-0.682	-0.2324	0.5119	-0.0446	-0.092	0.5016	-0	0.5011	-34.3611	61.7148	-37.2446
25	2.0184	-0.4062	2.119	0.8891	-1.402	5.0806	-0.1791	0.0435	0.1624	-0.1942	0.0892	-0.2158	-0.3802	0.1297	0.066	0.8471	-0.0129	0.0366	0.6163	-0.1163	0.6935	-24.4394	54.1084	-7.5305
26	1.1768	0.3936	-1.5873	0.886	-1.3781	6.8617	-0.0141	-0.1083	0.1199	-0.1684	-0.0472	-0.115	-0.3709	0.2935	0.0583	0.5396	-0.0126	-0.0184	0.4129	-0.0399	0.5065	-15.4078	49.1597	-22.7744
27	3.2717	1.8464	-0.2527	7.7442	-1.7374	3.9815	-0.2702	0.1706	0.1465	-1.2023	-0.2094	0.0021	-0.1606	0.6207	0.3971	0.931	-0.0178	0.1251	0.5067	-0.0468	0.4835	-8.097	53.0576	-45.7187
28	2.5445	-0.8527	1.8824	5.1937	-0.5201	3.2568	0.0473	0.2046	-0.2707	0.1551	-0.2654	0.0301	0.0141	0.6932	0.1661	0.6159	0.0214	0.1124	0.7181	-0.1062	0.3453	-8.7972	47.4839	-32.926
29	1.6892	0.8434	1.0527	1.9938	1.048	2.4325	0.049	-0.2631	0.161	0.2444	-0.3322	0.226	-0.1946	-0.2687	0.3128	0.4776	0.0577	0.0854	0.6358	-0.1418	0.5038	-39.5569	51.7232	22.9357
30	5.4689	1.1669	-0.9513	3.0207	-1.1673	4.5867	0.0762	-0.0425	0.2919	-0.2938	-0.3213	0.5216	-0.1188	-0.2719	0.2041	0.5696	0.2363	-0.0582	0.472	-0.1256	0.6182	-40.9422	62.0015	14.7068
31	4.6585	0.1667	1.8383	1.6337	0.7538	1.6417	-0.237	-0.1053	0.4945	-0.4664	0.0718	0.0019	-0.6478	-0.0642	0.2135	0.9321	0.0074	-0.0095	0.4589	-0.0143	0.5312	-26.3856	73.12	13.466
32	2.6291	3.4175	1.0485	6.0664	0.1138	2.3432	0.1774	-0.1774	0.417	0.4436	-0.2701	0.1631	-0.3031	-0.0413	0.1196	0.545	0.1219	0.0281	0.5372	-0.1048	0.4948	-17.4813	61.8198	28.2651
33	2.9784	0.3003	2.223	4.1324	3.2311	5.8347	0.1031	-0.2025	-0.0871	0.162	-0.2855	0.2849	0.2143	-0.2115	0.2173	0.4358	0.0312	0.0338	0.3733	-0.0226	0.3803	-22.2962	38.482	25.0603
34	2.7213	0.0511	-0.6144	2.9116	1.7006	3.1771	0.2138	-0.0026	-0.0882	0.2002	0.0038	-0.4012	0.2731	0.1691	-0.1705	0.5691	0.0529	-0.1458	0.4731	-0.0338	0.4948	-13.1494	30.1439	16.0657
35	2.4362	1.1583	0.1293	3.473	1.4887	3.2984	-0.1039	0.1966	-0.1952	0.2058	0.2917	-0.1597	0.568	0.2177	-0.2142	0.5755	0.1119	-0.0986	0.4531	-0.0509	0.4786	-12.035	24.389	8.9328
36	1.8689	-0.0828	0.0356	4.1297	1.1056	1.9641	-0.1615	-0.1435	-0.1146	-0.1121	0.1786	-0.1782	0.0351	0.1989	-0.0185	0.4014	0.0478	-0.0834	0.5599	-0.0628	0.4199	-12.0335	25.1771	-1.8589
37	1.9284	-0.5255	-1.0917	1.9986	1.2663	3.0708	0.1006	0.3021	-0.2363	-0.275	-0.1296	0.2528	0.289	-0.3069	0.0254	0.4045	0.0023	-0.0731	0.5128	-0.0579	0.4422	-31.8047	28.6036	-4.9386
38	2.2524	-0.4844	0.0584	3.7515	0.3211	2.062	0.0332	0.1285	-0.164	0.0781	-0.2996	0.6813	0.4136	-0.5543	0.2226	0.4106	-0.0462	0.0307	0.6881	-0.1993	0.6575	-54.2604	37.7993	10.2704
39	5.4501	2.3151	0.504	7.8615	-0.0908	1.9584	-0.2676	1.2981	-0.5636	-0.3666	-0.5239	0.005	-2.3228	-2.0003	0.7474	1.32	0.1684	-0.0736	1.3164	-0.2507	0.6747	-26.3355	62.1824	-61.7008
40	2.2514	-1.4252	0.0784	1.8544	-2.2875	6.7705	0.799	0.3715	-0.1571	-2.8574	-0.4872	0.3259	-0.8159	1.5276	-0.009	2.03	-0.1962	0.0204	0.9651	-0.171	0.7806	-15.1269	57.7807	-64.2116
41	9.5016	-0.6752	4.3738	6.8023	-1.1306	2.1586	0.6534	0.4269	1.0241	-0.7302	-0.4947	-0.5467	-0.5468	-0.1429	-0.0906	1.0478	0.0126	0.0582	0.5741	0.0702	0.5121	-16.1268	51.1032	-55.9424
42	5.3334	-0.9572	2.9993	2.0114	-0.3556	8.4805	0.0441	0.3588	-0.5805	0.3321	-0.1878	1.0318	-0.21	-0.1832	-0.0552	0.8794	0.1397	0.0962	0.5575	-0.0863	0.6716	-21.6441	45.4838	-54.2599

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 72 through 95 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 96 through 114 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 115 through 147 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 148 through 231 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 232 through 291 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 292 through 345 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 346 through 442 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 2 through 84 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 85 through 163 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 164 through 217 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 218 through 269 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 270 through 336 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 337 through 385 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 386 through 795 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 796 through 886 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 887 through 1044 )
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 1045 through 1097 )
18	X-RAY DIFFRACTION	18	chain 'B' and (resid 1098 through 1140 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 380 through 393 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 394 through 402 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 403 through 421 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 422 through 432 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 72 through 95 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 96 through 172 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 173 through 231 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 232 through 371 )
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 372 through 404 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 405 through 442 )
29	X-RAY DIFFRACTION	29	chain 'E' and (resid 2 through 84 )
30	X-RAY DIFFRACTION	30	chain 'E' and (resid 85 through 140 )
31	X-RAY DIFFRACTION	31	chain 'E' and (resid 141 through 248 )
32	X-RAY DIFFRACTION	32	chain 'E' and (resid 249 through 326 )
33	X-RAY DIFFRACTION	33	chain 'E' and (resid 327 through 385 )
34	X-RAY DIFFRACTION	34	chain 'E' and (resid 386 through 784 )
35	X-RAY DIFFRACTION	35	chain 'E' and (resid 785 through 835 )
36	X-RAY DIFFRACTION	36	chain 'E' and (resid 836 through 886 )
37	X-RAY DIFFRACTION	37	chain 'E' and (resid 887 through 1044 )
38	X-RAY DIFFRACTION	38	chain 'E' and (resid 1045 through 1140 )
39	X-RAY DIFFRACTION	39	chain 'F' and (resid 380 through 399 )
40	X-RAY DIFFRACTION	40	chain 'F' and (resid 400 through 409 )
41	X-RAY DIFFRACTION	41	chain 'F' and (resid 410 through 421 )
42	X-RAY DIFFRACTION	42	chain 'F' and (resid 422 through 432 )

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