PDB-7y8w: Crystal structure of DLC-1/SAO-1 complex

ID or keywords:

Entry

Database: PDB / ID: 7y8w

Title

Crystal structure of DLC-1/SAO-1 complex

Components

Dynein light chain 1, cytoplasmic
Isoform b of Suppressor of aph-1

Keywords

PROTEIN BINDING / Complex

Function / homology

Function and homology information

regulation of protein deneddylation / Aggrephagy / COPI-mediated anterograde transport / COPI-independent Golgi-to-ER retrograde traffic / Macroautophagy / Intraflagellar transport / HSP90 chaperone cycle for steroid hormone receptors (SHR) in the presence of ligand / Neutrophil degranulation / nuclear migration along microtubule / cytoplasmic dynein complex ...
Similarity search - Function

Biological species

Caenorhabditis elegans (invertebrata)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 2.4 Å

Authors

Yan, H. / Zhao, C. / Wei, Z. / Yu, C.

Funding support

China, 3items

Organization	Grant number	Country
National Natural Science Foundation of China (NSFC)	31870757	China
National Natural Science Foundation of China (NSFC)	31971131	China
National Natural Science Foundation of China (NSFC)	32170697	China

Citation

Journal: Cell Death Discov / Year: 2022
Title: Interaction between DLC-1 and SAO-1 facilitates CED-4 translocation during apoptosis in the Caenorhabditis elegans germline.
Authors: Zhang, D. / Yang, H. / Jiang, L. / Zhao, C. / Wang, M. / Hu, B. / Yu, C. / Wei, Z. / Tse, Y.C.

History

Deposition	Jun 24, 2022	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Jul 26, 2023	Provider: repository / Type: Initial release
Revision 1.1	May 29, 2024	Group: Data collection / Category: chem_comp_atom / chem_comp_bond

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	7y8w.cif.gz	473 KB	Display	PDBx/mmCIF format
PDB format	pdb7y8w.ent.gz	396.9 KB	Display	PDB format
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Validation report

Summary document	7y8w_validation.pdf.gz	592.7 KB	Display	wwPDB validaton report
Full document	7y8w_full_validation.pdf.gz	602.5 KB	Display
Data in XML	7y8w_validation.xml.gz	37.5 KB	Display
Data in CIF	7y8w_validation.cif.gz	53.7 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/y8/7y8w ftp://data.pdbj.org/pub/pdb/validation_reports/y8/7y8w	HTTPS FTP

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Related structure data

Related structure data	3p8mS S: Starting model for refinement
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

Deposited unit

A: Dynein light chain 1, cytoplasmic

B: Dynein light chain 1, cytoplasmic

C: Dynein light chain 1, cytoplasmic

D: Dynein light chain 1, cytoplasmic

E: Isoform b of Suppressor of aph-1

F: Isoform b of Suppressor of aph-1

G: Dynein light chain 1, cytoplasmic

H: Dynein light chain 1, cytoplasmic

I: Dynein light chain 1, cytoplasmic

J: Dynein light chain 1, cytoplasmic

K: Isoform b of Suppressor of aph-1

L: Isoform b of Suppressor of aph-1

M: Dynein light chain 1, cytoplasmic

N: Dynein light chain 1, cytoplasmic

O: Isoform b of Suppressor of aph-1

P: Isoform b of Suppressor of aph-1

Q: Dynein light chain 1, cytoplasmic

R: Dynein light chain 1, cytoplasmic

S: Isoform b of Suppressor of aph-1

T: Isoform b of Suppressor of aph-1

hetero molecules

157 kDa, 20 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Dynein light chain 1, cytoplasmic

B: Dynein light chain 1, cytoplasmic

C: Dynein light chain 1, cytoplasmic

D: Dynein light chain 1, cytoplasmic

E: Isoform b of Suppressor of aph-1

F: Isoform b of Suppressor of aph-1

hetero molecules

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

2

G: Dynein light chain 1, cytoplasmic

H: Dynein light chain 1, cytoplasmic

I: Dynein light chain 1, cytoplasmic

J: Dynein light chain 1, cytoplasmic

K: Isoform b of Suppressor of aph-1

L: Isoform b of Suppressor of aph-1

hetero molecules

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

3

M: Dynein light chain 1, cytoplasmic

N: Dynein light chain 1, cytoplasmic

O: Isoform b of Suppressor of aph-1

P: Isoform b of Suppressor of aph-1

defined by author
28.4 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

Q: Dynein light chain 1, cytoplasmic

R: Dynein light chain 1, cytoplasmic

S: Isoform b of Suppressor of aph-1

T: Isoform b of Suppressor of aph-1

defined by author
28.4 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	40.274, 163.515, 229.132
Angle α, β, γ (deg.)	90.000, 90.460, 90.000
Int Tables number	5
Space group name H-M	C121

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Component-ID: 1

Dom-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	LYS	LYS	GLY	GLY	chain A	A	A	5 - 89	11 - 95
2	1	ARG	ARG	GLY	GLY	chain B	B	B	4 - 89	10 - 95
3	1	ARG	ARG	SER	SER	chain C	C	C	4 - 88	10 - 94
4	1	ALA	ALA	GLY	GLY	chain D	D	D	6 - 89	12 - 95
5	1	ARG	ARG	GLY	GLY	chain G	G	G	4 - 89	10 - 95
6	1	ARG	ARG	GLY	GLY	chain H	H	H	4 - 89	10 - 95
7	1	LYS	LYS	GLY	GLY	chain I	I	I	5 - 89	11 - 95
8	1	ALA	ALA	GLY	GLY	chain J	J	J	6 - 89	12 - 95
9	1	ARG	ARG	GLY	GLY	chain M	M	M	4 - 89	10 - 95
10	1	VAL	VAL	SER	SER	chain N	N	N	2 - 88	8 - 94
11	1	LYS	LYS	GLY	GLY	chain Q	Q	Q	5 - 89	11 - 95
12	1	VAL	VAL	SER	SER	chain R	R	R	2 - 88	8 - 94
1	2	PHE	PHE	PRO	PRO	chain E	E	E	181 - 203	6 - 28
2	2	PHE	PHE	VAL	VAL	chain F	F	F	181 - 204	6 - 29
3	2	PHE	PHE	PRO	PRO	chain K	K	K	181 - 203	6 - 28
4	2	PHE	PHE	VAL	VAL	chain L	L	L	181 - 204	6 - 29
1	3	VAL	VAL	PRO	PRO	chain O	O	O	193 - 203	18 - 28
2	3	VAL	VAL	PRO	PRO	chain P	P	P	192 - 203	17 - 28
3	3	MET	MET	PRO	PRO	chain S	S	S	194 - 203	19 - 28
4	3	VAL	VAL	PRO	PRO	chain T	T	T	192 - 203	17 - 28

NCS ensembles :

ID
1
2
3

#1: Protein	Dynein light chain 1, cytoplasmic Mass: 10933.447 Da / Num. of mol.: 12 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Caenorhabditis elegans (invertebrata) / Gene: dlc-1, T26A5.9 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q22799
#2: Protein/peptide	Isoform b of Suppressor of aph-1 Mass: 3250.588 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Caenorhabditis elegans (invertebrata) / Gene: sao-1, R10D12.14 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: C6KRN1
#3: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₃H₈O₃
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 26 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	N

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.4 Å³/Da / Density % sol: 48.74 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: 0.2 M Potassium chloride, 0.05 M HEPES pH 7.5, 35% (v/v) Pentaerythritol propoxylate

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

SSRF

/ Beamline: BL18U1 / Wavelength: 0.98 Å

Detector

Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Oct 20, 2019

Radiation

Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 0.98 Å / Relative weight: 1

Reflection

Resolution: 2.4→50 Å / Num. obs: 55428 / % possible obs: 95.3 % / Redundancy: 5.2 % / B_iso Wilson estimate: 37.03 Å² / R_merge(I) obs: 0.129 / R_pim(I) all: 0.059 / R_rim(I) all: 0.142 / Χ²: 0.861 / Net I/σ(I): 3.9 / Num. measured all: 285979

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Num. unique obs	CC_1/2	R_pim(I) all	R_rim(I) all	Χ²	% possible all
2.4-2.44	4.9	0.762	2782	0.775	0.361	0.847	0.726	97
2.44-2.49	4.7	0.708	2816	0.793	0.344	0.792	0.726	95.6
2.49-2.53	5	0.601	2817	0.908	0.281	0.666	0.737	96.7
2.53-2.59	5	0.563	2718	0.89	0.263	0.624	0.755	95.8
2.59-2.64	5.3	0.519	2830	0.908	0.232	0.571	0.754	97.1
2.64-2.7	5.3	0.465	2824	0.935	0.209	0.512	0.748	96.6
2.7-2.77	5.2	0.378	2777	0.947	0.169	0.416	0.773	97.1
2.77-2.85	5.3	0.338	2817	0.963	0.151	0.372	0.78	96.8
2.85-2.93	5.1	0.293	2814	0.963	0.133	0.323	0.809	96.6
2.93-3.02	5.2	0.241	2798	0.977	0.109	0.265	0.825	96.2
3.02-3.13	5.1	0.212	2799	0.975	0.098	0.234	0.818	96.2
3.13-3.26	4.8	0.189	2731	0.979	0.09	0.211	0.854	95
3.26-3.41	5.1	0.135	2787	0.99	0.062	0.149	0.94	94.7
3.41-3.58	5.5	0.108	2753	0.996	0.048	0.119	1.004	96
3.58-3.81	5.4	0.101	2782	0.993	0.044	0.11	1.092	95.4
3.81-4.1	5.4	0.085	2782	0.994	0.038	0.094	1.009	95.2
4.1-4.52	5.2	0.075	2751	0.989	0.035	0.083	1.081	94.2
4.52-5.17	5	0.069	2681	0.994	0.033	0.077	1.006	92.1
5.17-6.51	5.6	0.071	2716	0.995	0.031	0.078	0.842	92.6
6.51-50	5.2	0.058	2653	0.996	0.026	0.064	0.895	89.7

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Phasing

Phasing	Method: molecular replacement

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Processing

Software

Name	Version	Classification
PHENIX	1.9_1692	refinement
HKL-2000		data scaling
PHASER		phasing
PDB_EXTRACT	3.27	data extraction
HKL-3000		data reduction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 3P8M

3p8m

Resolution: 2.4→50 Å / SU ML: 0.35 / Cross valid method: THROUGHOUT / σ(F): 1.35 / Phase error: 34.22 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2849	1962	3.58 %
R_work	0.2532	52908	-
obs	0.2544	54870	95.05 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso max: 135.57 Å² / B_iso mean: 66.712 Å² / B_iso min: 15.77 Å²

Refinement step

Cycle: final / Resolution: 2.4→50 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	9280	0	18	26	9324
B_iso mean	-	-	68.43	42.45	-
Num. residues	-	-	-	-	1165

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	9489
X-RAY DIFFRACTION	f_angle_d	0.707	12809
X-RAY DIFFRACTION	f_chiral_restr	0.027	1400
X-RAY DIFFRACTION	f_plane_restr	0.002	1631
X-RAY DIFFRACTION	f_dihedral_angle_d	11.787	3387

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Rms	Type
1	1	A	4936	X-RAY DIFFRACTION	8.897	TORSIONAL
1	2	B	4936	X-RAY DIFFRACTION	8.897	TORSIONAL
1	3	C	4936	X-RAY DIFFRACTION	8.897	TORSIONAL
1	4	D	4936	X-RAY DIFFRACTION	8.897	TORSIONAL
1	5	G	4936	X-RAY DIFFRACTION	8.897	TORSIONAL
1	6	H	4936	X-RAY DIFFRACTION	8.897	TORSIONAL
1	7	I	4936	X-RAY DIFFRACTION	8.897	TORSIONAL
1	8	J	4936	X-RAY DIFFRACTION	8.897	TORSIONAL
1	9	M	4936	X-RAY DIFFRACTION	8.897	TORSIONAL
1	10	N	4936	X-RAY DIFFRACTION	8.897	TORSIONAL
1	11	Q	4936	X-RAY DIFFRACTION	8.897	TORSIONAL
1	12	R	4936	X-RAY DIFFRACTION	8.897	TORSIONAL
2	1	E	417	X-RAY DIFFRACTION	8.897	TORSIONAL
2	2	F	417	X-RAY DIFFRACTION	8.897	TORSIONAL
2	3	K	417	X-RAY DIFFRACTION	8.897	TORSIONAL
2	4	L	417	X-RAY DIFFRACTION	8.897	TORSIONAL
3	1	O	202	X-RAY DIFFRACTION	8.897	TORSIONAL
3	2	P	202	X-RAY DIFFRACTION	8.897	TORSIONAL
3	3	S	202	X-RAY DIFFRACTION	8.897	TORSIONAL
3	4	T	202	X-RAY DIFFRACTION	8.897	TORSIONAL

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0 / Total num. of bins used: 14

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
2.4-2.46	0.3373	140	0.3432	3781	3921	96
2.46-2.5264	0.3526	142	0.3378	3878	4020	96
2.5264-2.6006	0.362	138	0.3321	3752	3890	96
2.6006-2.6845	0.3551	136	0.3321	3894	4030	97
2.6845-2.7803	0.3429	139	0.3186	3741	3880	96
2.7803-2.8914	0.3338	143	0.3127	3908	4051	97
2.8914-3.0227	0.329	143	0.305	3786	3929	96
3.0227-3.1817	0.3614	141	0.3112	3783	3924	96
3.1817-3.3805	0.3115	142	0.2892	3810	3952	94
3.3805-3.6407	0.2959	140	0.2583	3776	3916	96
3.6407-4.0054	0.3051	147	0.2365	3799	3946	95
4.0054-4.5812	0.2118	138	0.196	3698	3836	94
4.5812-5.7577	0.2189	139	0.1863	3724	3863	93
5.7577-23.4575	0.2266	134	0.19	3578	3712	89

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	1.5509	0.3663	0.1951	0.1645	-0.0348	0.363	-0.0815	0.0974	-0.0154	-0.0179	-0.1661	-0.3592	-0.0217	0.4175	-0.1848	0.0773	-0.037	-0.0227	0.6486	0.0528	0.4368	9.7113	41.0316	237.756
2	1.7133	0.5386	-0.1917	0.8105	0.2292	0.579	0.0093	0.0479	-0.0011	0.0401	-0.0617	-0.3107	-0.009	0.2364	-0.0281	0.0236	-0.0377	-0.0261	0.3594	0.0439	0.2941	8.2343	41.4548	246.9043
3	3.4404	0.5457	-1.3455	2.0229	-0.7709	3.4278	0.1426	0.022	0.0842	0.0918	0.2976	0.1921	-0.2745	-0.6603	-0.3638	0.2571	-0.0618	0.1688	0.7861	0.0821	0.6881	-13.2174	37.4601	252.7559
4	4.2901	2.9778	1.5176	8.0895	2.2446	4.5637	0.3709	-0.53	0.0743	1.5422	-0.1843	0.8406	-0.2772	-1.1087	-0.1032	0.8529	0.0443	0.3182	0.6497	0.0881	0.5104	-10.0418	41.0344	263.0693
5	2.8563	0.2583	0.9525	1.6786	1.2072	1.077	0.188	-0.4146	0.2204	1.1619	-0.0306	0.3649	-1.2403	-0.1841	-0.1793	0.7504	-0.0015	0.1193	0.3526	-0.021	0.2661	-0.1959	42.7547	262.4734
6	0.6202	0.1776	-0.0042	0.3112	-0.3254	0.5234	0.0754	0.0116	-0.106	0.0499	0.0846	0.333	-0.0182	-0.3028	0.087	0.0699	-0.0522	0.0231	0.474	0.0293	0.4058	-3.5328	38.0907	251.9057
7	2.508	2.3862	-0.2999	2.4624	0.9128	7.5058	0.1612	-0.2738	0.5714	0.3337	0.2633	0.1378	-0.2155	-0.4589	-0.3203	0.1568	-0.0029	0.0637	0.3333	0.0231	0.319	-4.2139	40.2876	253.5281
8	7.5791	-5.4729	-5.6356	4.4977	4.9181	5.5108	-0.0374	0.0217	-0.2409	0.1454	-0.0332	-0.5118	0.597	0.4406	0.0156	0.5784	0.1666	0.0052	0.7832	0.0626	0.6538	28.4296	15.158	245.1316
9	1.8709	-1.9286	0.6253	3.1643	1.2442	4.8236	0.1871	1.2774	-0.0933	-0.9005	-0.4535	-0.2281	0.4524	0.5139	0.2572	1.4127	0.3169	0.149	0.7713	0.092	0.5724	21.765	13.0676	236.2108
10	2.2543	0.9351	-0.7986	3.8039	-0.6245	6.64	-0.2991	0.6342	-0.129	-0.7769	0.0065	0.6845	0.5355	0.3161	0.2527	1.3466	0.1226	-0.0649	0.5107	-0.0637	0.5654	14.0058	7.7698	239.6303
11	3.0391	1.4026	0.3752	1	0.7887	1.1211	-0.0216	0.5846	-0.4648	-0.2737	-0.2125	-0.1184	0.2753	-0.0054	0.2062	1.3447	0.2351	0.0552	0.49	-0.0363	0.3405	18.7526	4.1632	245.3463
12	7.1195	-2.4014	-0.8317	5.207	-0.8563	1.6006	0.4158	0.1438	-0.5098	-0.1372	-0.5211	-0.2339	0.2141	0.3961	0.1321	1.2541	0.2925	0.0719	0.5018	0.1007	0.4447	22.8085	9.1207	252.9569
13	7.0353	-4.7903	-3.6919	7.6832	6.3413	5.3284	0.0442	-0.0727	-0.2165	0.3385	0.3937	0.1479	0.3005	0.4114	-0.387	0.9403	0.1489	0.116	0.5312	0.1441	0.4326	22.7283	15.2207	246.0755
14	4.0878	3.2384	0.0714	4.6843	-4.0708	8.0392	0.0424	0.1851	-0.1826	-0.1071	0.031	-0.1834	0.6162	0.3843	-0.1086	0.7439	0.2012	0.0647	0.5411	-0.0045	0.4188	20.75	8.7281	247.269
15	0.8274	0.2987	0.3364	3.1646	0.1286	0.1367	-0.3291	-0.0016	-0.3323	-0.3809	0.1946	0.192	0.1425	-0.0243	0.1272	1.9024	0.1813	0.6406	0.5579	0.0926	0.8512	8.3496	2.6448	266.3955
16	0.3945	0.0346	-0.1654	1.1459	0.011	0.1522	-0.2042	-0.1218	-0.1228	0.416	-0.006	-0.072	0.0569	0.1077	0.0522	1.6745	0.2392	0.1922	0.4337	0.0644	0.4048	19.3426	5.2504	263.7512
17	4.194	-1.7278	0.7917	2.014	1.6473	3.1405	0.1175	0.3446	-0.3023	-0.2386	0.0171	0.1964	0.1038	0.0422	-0.1866	1.2442	0.0792	0.251	0.3656	-0.0278	0.5748	11.4441	4.5461	252.1024
18	3.2456	-1.2833	1.0561	8.4614	0.7443	1.5105	0.1918	-0.0141	0.0312	0.0481	-0.0728	0.7914	0.038	-0.1255	0.021	1.4775	0.1985	0.423	0.4351	0.0707	0.7641	9.8253	5.5773	259.3135
19	2.4897	-2.071	-1.7117	3.401	3.6402	4.1196	0.1298	0.0226	-0.2717	-0.071	0.0503	-0.0137	-0.0407	-0.0462	-0.1562	1.2458	0.0547	0.1988	0.4081	-0.0499	1.0891	8.3065	2.488	249.6686
20	5.2233	1.6028	1.9263	7.6292	-3.9485	4.6437	0.3916	-1.1837	-0.5166	0.351	-0.4779	-0.1986	0.1776	0.2703	0.0527	0.2943	-0.2292	-0.0344	0.7073	0.1154	0.6142	-1.0989	22.672	249.1208
21	1.1227	0.9822	0.9121	4.2241	-0.7332	4.215	0.0339	0.4734	0.0936	-0.1171	-0.016	1.1013	-0.1933	-0.8383	0.0193	0.1484	-0.0482	-0.0613	0.5237	0.1266	0.4075	-7.2028	42.1529	243.1545
22	6.958	-6.2937	-7.04	5.6949	6.3691	7.1237	-0.1585	0.1106	-0.4648	-0.5454	-0.2352	-0.2329	0.6238	0.3402	0.3559	1.1826	0.1586	0.0138	0.5622	0.1761	0.7339	29.7016	2.46	255.0107
23	2.7645	-3.2346	-0.0332	6.8198	3.5363	4.0328	0.0875	0.1576	0.3139	-0.1918	-0.1194	-0.4132	-0.2032	0.1595	0.0489	1.134	0.0574	-0.1362	0.412	0.0337	0.3798	22.1956	17.1204	255.6898
24	5.522	-0.582	0.6791	0.7175	-0.5325	1.1171	-0.0627	0.0649	-0.0607	0.0175	0.1651	-0.1077	-0.023	0.3659	-0.1085	0.1645	-0.1135	-0.0001	0.6443	-0.0351	0.5674	15.5701	31.2024	256.9219
25	5.8978	-5.6749	3.4343	5.957	-4.1908	3.5799	-0.2623	0.0538	0.7044	0.6927	-0.2123	-1.0183	-1.2169	0.3937	0.4566	0.553	-0.1453	-0.1627	0.3769	-0.002	0.388	7.296	49.9292	253.1005
26	1.5422	-0.4641	0.051	0.6496	-0.2223	0.61	-0.1776	-0.2851	-0.0872	0.1017	-0.1039	-0.3393	-0.002	0.5403	-0.0816	0.0879	0.0295	0.0072	0.5725	0.0468	0.4013	28.573	41.2949	334.0786
27	4.4281	-1.4588	1.2528	1.5106	0.4196	1.7636	0.0511	0.0256	-0.171	-0.1516	-0.0204	-0.1922	0.0817	0.2365	-0.0592	0.0732	0.0417	0.0686	0.3417	0.0106	0.2795	28.3173	38.3803	325.2553
28	1.4952	-0.5365	-0.0624	2.1521	-0.6734	1.5316	0.1181	0.2589	0.014	-0.1809	0.1578	0.2972	0.0708	-0.5681	-0.2081	0.3197	0.1482	-0.2234	0.8878	0.0533	0.7925	6.3439	44.0601	319.9433
29	4.4071	-2.4099	-1.2479	7.5004	1.4986	3.922	0.2399	0.4148	-0.1932	-1.3768	-0.1039	1.1711	0.3569	-1.3172	-0.0376	0.67	-0.1061	-0.3246	0.748	0.1212	0.5871	9.6374	40.4067	309.6593
30	2.0104	-0.666	-1.0731	3.0058	1.849	1.374	0.2659	0.3843	-0.2203	-1.4111	0.0069	0.5058	0.9893	-0.2568	-0.2699	0.8236	-0.0178	-0.141	0.369	0.011	0.2884	19.4702	38.6647	310.3648
31	1.4257	-0.6106	0.8727	1.219	-1.2985	2.6626	0.1727	-0.0544	0.0825	-0.1192	0.1319	0.4683	0.0725	-0.5715	-0.1326	0.0886	0.0497	0.0102	0.4332	0.017	0.4157	16.0192	43.3669	320.8604
32	3.7145	-2.78	-0.4475	2.6219	2.299	7.1856	0.4092	0.0779	-0.6903	0.0506	-0.008	-0.1743	0.3769	-0.5121	-0.3104	0.1664	-0.0345	-0.0868	0.3719	0.0417	0.3303	15.4542	41.1027	319.1947
33	7.6997	4.6218	4.9197	9.5092	5.5429	6.0352	0.0943	0.1951	0.0695	-0.1998	0.038	-0.4646	-0.427	0.3701	-0.1336	0.6959	-0.1384	-0.0713	0.7899	0.1159	0.5786	48.0286	66.2939	327.7925
34	6.5579	0.1186	-1.4417	2.5683	1.0431	4.5682	0.1967	-1.4972	-0.3439	0.9202	-0.3975	-0.3424	-0.4123	0.4067	0.1679	1.3983	-0.2635	-0.1701	0.7809	0.1711	0.554	41.5652	68.3669	336.6293
35	2.7145	-2.2298	-0.8584	4.0654	0.5558	1.5463	-0.1651	-0.6052	0.1532	0.9884	-0.0798	0.5749	-0.2591	0.1433	0.2288	1.4297	-0.2145	0.0073	0.489	-0.0091	0.4921	35.0356	74.7554	331.4891
36	3.0438	-1.2693	0.4456	1.7455	-1.4197	3.7879	0.1645	-0.1409	0.292	-0.1676	-0.2087	-0.1054	-0.3535	0.6356	0.0511	1.2499	-0.3155	-0.094	0.5275	0.0856	0.3934	42.9526	70.4855	322.6649
37	5.2186	0.6989	-0.4044	5.7464	-0.5158	3.0826	-0.1162	-0.3939	0.2923	-0.031	0.2648	0.3276	-0.233	0.2044	-0.1498	1.0678	-0.2917	-0.0789	0.5009	0.033	0.3264	39.5858	71.0001	325.8666
38	0.9354	-0.8615	-0.7029	3.8316	0.8463	0.5407	-0.2075	0.0438	0.4636	-0.0355	0.1383	0.4558	-0.0694	-0.0248	0.1183	1.8905	-0.1814	-0.5893	0.5422	0.058	0.9523	28.3765	78.7399	306.2618
39	0.4151	-0.0407	0.0881	2.3482	0.0815	0.397	-0.136	0.1051	0.0964	-0.3796	0.0207	-0.2391	0.0262	0.02	0.0195	1.6286	-0.2094	-0.164	0.4049	0.0426	0.4702	39.2264	76.0507	309.1394
40	4.0131	1.8502	-1.4027	9.0026	1.4951	3.3329	0.0677	-0.1198	0.1124	0.3675	-0.0866	0.3451	-0.1434	-0.0581	-0.0197	1.2643	-0.0735	-0.2757	0.3548	-0.0259	0.6349	31.1752	76.8026	320.7011
41	2.2838	0.3407	-0.5769	7.2206	0.3257	2.0368	0.1673	-0.0108	-0.0174	0.133	-0.0547	0.8102	-0.0925	-0.0858	-0.034	1.5674	-0.2607	-0.5178	0.501	0.1399	0.7989	29.6686	75.8241	313.4483
42	1.5447	-0.1612	-0.7481	0.0929	-0.3262	2.5091	-0.0572	0.2457	0.5992	0.0326	-0.1702	0.052	-0.4975	0.0927	0.1898	1.2245	-0.2222	-0.1818	0.4476	0.0126	1.1519	30.6281	86.1963	324.7149
43	2.6805	1.7065	-0.5736	6.4969	-2.0466	0.645	-0.2714	-0.2098	0.4851	0.3663	-0.0261	-0.6059	-0.5341	0.076	0.269	0.7461	0.1384	-0.2087	0.3781	-0.0492	0.7271	21.485	64.4082	322.4753
44	1.6749	-0.647	-0.3751	2.4319	0.363	1.8158	0.0806	-0.357	-0.1064	0.1193	-0.1034	0.6978	0.0782	-0.6211	0.1081	0.1456	0.04	0.0561	0.5843	0.1062	0.4523	12.2288	39.3945	329.6424
45	6.0093	5.3325	3.0207	4.7375	2.6837	1.5202	-0.0919	0.1055	-0.032	0.0982	-0.1063	-0.5911	-0.0716	0.3325	0.1509	1.4171	-0.4069	0.0016	0.6192	0.0641	0.7833	49.3987	78.9613	317.9737
46	4.5993	4.6954	1.7959	8.1185	3.5984	3.0111	0.106	0.1137	-0.2823	-0.1125	0.1599	-0.5906	-0.6917	0.2048	-0.2696	0.4028	0.0484	0.0558	0.4715	0.0245	0.3607	38.4102	56.9068	316.625
47	9.859	6.2676	-2.769	4.5162	-0.1303	5.7728	-0.0243	-0.0261	-0.9069	0.1351	-0.1454	-0.8242	1.1287	0.2465	0.2058	0.5872	0.1136	0.1323	0.2688	-0.062	0.3233	26.9097	31.5121	319.8174
48	4.4383	-1.0591	0.9452	4.9801	-2.2891	1.8693	0.2037	0.2676	-0.0535	-0.5034	-0.174	-0.0095	0.1642	0.1535	-0.0446	1.8688	0.2288	0.3266	0.5489	0.0809	0.5634	27.7514	35.6888	283.2184
49	0.4464	0.1347	0.239	0.1424	0.3287	2.0248	0.1535	0.1267	0.0081	-0.0399	0.0284	-0.0298	-0.1193	0.3886	-0.0068	2.0962	0.3759	0.0556	0.6774	-0.0089	0.4721	29.4969	24.67	275.6113
50	0.3739	0.161	-0.37	0.3142	-0.4326	1.524	0.1996	0.0811	0.0596	-0.1743	-0.0947	-0.0694	-0.0397	0.058	0.1355	2.0345	0.1185	0.1528	0.5012	0.0204	0.4029	30.931	27.0874	286.9989
51	2.8246	0.0741	1.2684	0.5831	0.9564	4.573	0.4457	0.0422	0.0323	-0.1777	-0.1475	-0.0481	0.1448	0.0545	-0.1483	1.8885	0.0556	0.1347	0.4236	0.0137	0.4455	28.771	26.2786	284.7276
52	1.0918	0.3487	-0.2408	3.4663	0.0935	0.2686	0.0481	-0.0714	0.109	0.2518	0.0519	-0.047	0.0587	0.0191	0.0378	1.7375	-0.1522	-0.2517	0.4318	-0.007	0.6178	24.6323	8.0324	299.2272
53	0.2359	-0.0215	-0.2168	0.0813	0.2498	0.8702	0.1428	-0.1094	-0.0669	0.029	-0.0332	-0.0464	0.2298	0.1865	-0.0681	2.0932	-0.1432	-0.0961	0.4938	-0.0053	0.4222	29.7013	18.4893	303.2476
54	1.9783	0.0077	-1.0033	0.5622	0.2852	5.6832	0.1291	0.0222	-0.0817	0.2201	-0.0586	-0.0684	0.2603	0.3889	-0.0919	1.9698	0.1198	-0.1391	0.4906	-0.0212	0.4727	29.8502	15.6734	289.0966
55	0.5886	0.0252	-0.132	0.5037	0.5484	0.9583	0.2228	-0.0192	-0.0903	0.0842	-0.0637	-0.0348	-0.0427	0.056	0.1012	2.045	-0.0461	-0.3188	0.4883	0.0167	0.5335	27.3126	13.9121	295.751
56	4.2523	-3.6697	-1.089	3.3203	0.6521	0.8111	-0.0829	0.3048	-0.5364	-0.3884	-0.2361	0.222	0.0827	-0.0427	0.122	1.914	0.1695	-0.1597	0.4943	-0.0169	0.57	28.683	12.1217	286.7382
57	1.8464	0.6981	0.2023	0.704	0.4707	2.4886	-0.2761	-0.2545	-0.0619	0.0169	-0.0348	0.0151	-0.0425	-0.0799	0.0999	1.8942	0.0763	0.2613	0.522	-0.0066	0.5288	28.8463	30.4907	293.8753
58	1.8442	0.1687	-0.1948	4.8675	-1.5716	1.1773	0.0982	-0.1221	0.0184	0.4875	-0.0412	-0.0369	-0.14	0.0303	-0.0596	1.8729	-0.1186	-0.3287	0.4877	0.0227	0.5353	8.3564	45.5781	289.0073
59	1.0369	-0.6152	0.1066	1.4497	-1.4722	2.4701	-0.0107	-0.0682	0.0731	0.2647	-0.1993	-0.1605	-0.1412	0.3957	0.2624	1.963	-0.2569	-0.2166	0.6888	0.1323	0.5623	8.4177	51.6708	298.7172
60	0.7905	-0.373	-0.389	0.9835	1.4762	2.5852	0.0261	-0.0826	-0.0325	0.1469	0.2446	-0.174	0.3314	0.3835	-0.3185	2.0101	-0.4226	0.01	0.6955	-0.0666	0.5227	9.878	60.9249	296.0002
61	0.3297	0.0501	-0.0685	0.5229	-0.4466	4.0499	0.1127	-0.1539	-0.0411	0.2042	-0.1093	-0.0896	0.1705	0.5301	0.2677	1.9681	-0.2397	-0.0646	0.5683	0.0243	0.4069	12.1366	56.0346	284.8734
62	0.5257	-0.1339	-0.2671	0.1899	0.07	3.0084	0.2871	-0.0477	-0.0629	0.0038	-0.0942	-0.0085	-0.0661	0.0766	0.1244	1.8971	-0.1715	-0.2189	0.4785	0.0401	0.4574	8.1838	52.8131	288.2488
63	0.3769	-0.16	0.0572	0.0669	-0.0251	0.0095	0.4416	0.1089	0.1452	-0.1318	-0.2003	-0.0957	-0.2468	0.1028	0.119	2.085	0.1026	0.1596	0.5018	0.0465	0.4565	8.9412	65.3274	269.7012
64	0.1961	-0.0472	-0.1599	0.3537	-0.1218	0.7175	0.2686	-0.0233	0.0815	-0.0014	-0.077	-0.0648	-0.1837	0.1146	0.3487	2.124	-0.0333	0.1559	0.4385	0.0097	0.4033	10.0375	65.6437	278.9627
65	2.8621	0.7543	0.8279	2.5002	1.4342	1.7656	-0.6334	0.2112	0.4335	-0.3412	0.4128	-0.0005	-0.7546	0.2758	0.2436	1.625	-0.2172	0.1885	0.4588	-0.0603	0.509	7.185	69.1667	285.8911
66	0.9431	-0.4398	0.0122	3.2065	0.5732	0.4688	-0.2415	-0.1542	0.4797	0.1834	0.018	-0.1039	0.0764	-0.0042	0.0297	1.7087	-0.0888	-0.2118	0.4537	-0.0167	0.5006	8.8266	51.2388	279.2243

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 5 through 50 )	A	5 - 50
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 51 through 89 )	A	51 - 89
3	X-RAY DIFFRACTION	3	chain 'B' and (resid 5 through 14 )	B	5 - 14
4	X-RAY DIFFRACTION	4	chain 'B' and (resid 15 through 31 )	B	15 - 31
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 32 through 50 )	B	32 - 50
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 51 through 78 )	B	51 - 78
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 79 through 89 )	B	79 - 89
8	X-RAY DIFFRACTION	8	chain 'C' and (resid 5 through 14 )	C	5 - 14
9	X-RAY DIFFRACTION	9	chain 'C' and (resid 15 through 31 )	C	15 - 31
10	X-RAY DIFFRACTION	10	chain 'C' and (resid 32 through 50 )	C	32 - 50
11	X-RAY DIFFRACTION	11	chain 'C' and (resid 51 through 59 )	C	51 - 59
12	X-RAY DIFFRACTION	12	chain 'C' and (resid 60 through 71 )	C	60 - 71
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 72 through 80 )	C	72 - 80
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 81 through 88 )	C	81 - 88
15	X-RAY DIFFRACTION	15	chain 'D' and (resid 6 through 31 )	D	6 - 31
16	X-RAY DIFFRACTION	16	chain 'D' and (resid 32 through 59 )	D	32 - 59
17	X-RAY DIFFRACTION	17	chain 'D' and (resid 60 through 71 )	D	60 - 71
18	X-RAY DIFFRACTION	18	chain 'D' and (resid 72 through 88 )	D	72 - 88
19	X-RAY DIFFRACTION	19	chain 'E' and (resid 181 through 190 )	E	181 - 190
20	X-RAY DIFFRACTION	20	chain 'E' and (resid 191 through 195 )	E	191 - 195
21	X-RAY DIFFRACTION	21	chain 'E' and (resid 196 through 203 )	E	196 - 203
22	X-RAY DIFFRACTION	22	chain 'F' and (resid 181 through 185 )	F	181 - 185
23	X-RAY DIFFRACTION	23	chain 'F' and (resid 186 through 190 )	F	186 - 190
24	X-RAY DIFFRACTION	24	chain 'F' and (resid 191 through 195 )	F	191 - 195
25	X-RAY DIFFRACTION	25	chain 'F' and (resid 196 through 203 )	F	196 - 203
26	X-RAY DIFFRACTION	26	chain 'G' and (resid 5 through 59 )	G	5 - 59
27	X-RAY DIFFRACTION	27	chain 'G' and (resid 60 through 89 )	G	60 - 89
28	X-RAY DIFFRACTION	28	chain 'H' and (resid 5 through 14 )	H	5 - 14
29	X-RAY DIFFRACTION	29	chain 'H' and (resid 15 through 31 )	H	15 - 31
30	X-RAY DIFFRACTION	30	chain 'H' and (resid 32 through 50 )	H	32 - 50
31	X-RAY DIFFRACTION	31	chain 'H' and (resid 51 through 78 )	H	51 - 78
32	X-RAY DIFFRACTION	32	chain 'H' and (resid 79 through 89 )	H	79 - 89
33	X-RAY DIFFRACTION	33	chain 'I' and (resid 5 through 14 )	I	5 - 14
34	X-RAY DIFFRACTION	34	chain 'I' and (resid 15 through 31 )	I	15 - 31
35	X-RAY DIFFRACTION	35	chain 'I' and (resid 32 through 59 )	I	32 - 59
36	X-RAY DIFFRACTION	36	chain 'I' and (resid 60 through 78 )	I	60 - 78
37	X-RAY DIFFRACTION	37	chain 'I' and (resid 79 through 89 )	I	79 - 89
38	X-RAY DIFFRACTION	38	chain 'J' and (resid 6 through 31 )	J	6 - 31
39	X-RAY DIFFRACTION	39	chain 'J' and (resid 32 through 59 )	J	32 - 59
40	X-RAY DIFFRACTION	40	chain 'J' and (resid 60 through 71 )	J	60 - 71
41	X-RAY DIFFRACTION	41	chain 'J' and (resid 72 through 88 )	J	72 - 88
42	X-RAY DIFFRACTION	42	chain 'K' and (resid 181 through 185 )	K	181 - 185
43	X-RAY DIFFRACTION	43	chain 'K' and (resid 186 through 195 )	K	186 - 195
44	X-RAY DIFFRACTION	44	chain 'K' and (resid 196 through 203 )	K	196 - 203
45	X-RAY DIFFRACTION	45	chain 'L' and (resid 181 through 185 )	L	181 - 185
46	X-RAY DIFFRACTION	46	chain 'L' and (resid 186 through 195 )	L	186 - 195
47	X-RAY DIFFRACTION	47	chain 'L' and (resid 196 through 203 )	L	196 - 203
48	X-RAY DIFFRACTION	48	chain 'M' and (resid 4 through 14 )	M	4 - 14
49	X-RAY DIFFRACTION	49	chain 'M' and (resid 15 through 50 )	M	15 - 50
50	X-RAY DIFFRACTION	50	chain 'M' and (resid 51 through 78 )	M	51 - 78
51	X-RAY DIFFRACTION	51	chain 'M' and (resid 79 through 89 )	M	79 - 89
52	X-RAY DIFFRACTION	52	chain 'N' and (resid 2 through 14 )	N	2 - 14
53	X-RAY DIFFRACTION	53	chain 'N' and (resid 15 through 59 )	N	15 - 59
54	X-RAY DIFFRACTION	54	chain 'N' and (resid 60 through 71 )	N	60 - 71
55	X-RAY DIFFRACTION	55	chain 'N' and (resid 72 through 88 )	N	72 - 88
56	X-RAY DIFFRACTION	56	chain 'O' and (resid 193 through 203 )	O	193 - 203
57	X-RAY DIFFRACTION	57	chain 'P' and (resid 194 through 203 )	P	194 - 203
58	X-RAY DIFFRACTION	58	chain 'Q' and (resid 5 through 14 )	Q	5 - 14
59	X-RAY DIFFRACTION	59	chain 'Q' and (resid 15 through 31 )	Q	15 - 31
60	X-RAY DIFFRACTION	60	chain 'Q' and (resid 32 through 50 )	Q	32 - 50
61	X-RAY DIFFRACTION	61	chain 'Q' and (resid 51 through 71 )	Q	51 - 71
62	X-RAY DIFFRACTION	62	chain 'Q' and (resid 72 through 89 )	Q	72 - 89
63	X-RAY DIFFRACTION	63	chain 'R' and (resid 6 through 50 )	R	6 - 50
64	X-RAY DIFFRACTION	64	chain 'R' and (resid 51 through 88 )	R	51 - 88
65	X-RAY DIFFRACTION	65	chain 'S' and (resid 194 through 203 )	S	194 - 203
66	X-RAY DIFFRACTION	66	chain 'T' and (resid 194 through 203 )	T	194 - 203

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