PDB-5l2u: Oligomer crystal structure of CC chemokine 5 (CCL5)

ID or keywords:

Entry

Database: PDB / ID: 5l2u

Title

Oligomer crystal structure of CC chemokine 5 (CCL5)

Components

C-C motif chemokine 5

Keywords

CYTOKINE

Function / homology

Function and homology information

regulation of chronic inflammatory response / CCR4 chemokine receptor binding / chemokine (C-C motif) ligand 5 signaling pathway / activation of phospholipase D activity / chemokine receptor antagonist activity / CCR1 chemokine receptor binding / positive regulation of natural killer cell chemotaxis / negative regulation of macrophage apoptotic process / chemokine receptor binding / receptor signaling protein tyrosine kinase activator activity ...regulation of chronic inflammatory response / CCR4 chemokine receptor binding / chemokine (C-C motif) ligand 5 signaling pathway / activation of phospholipase D activity / chemokine receptor antagonist activity / CCR1 chemokine receptor binding / positive regulation of natural killer cell chemotaxis / negative regulation of macrophage apoptotic process / chemokine receptor binding / receptor signaling protein tyrosine kinase activator activity / CCR5 chemokine receptor binding / positive regulation of receptor signaling pathway via STAT / positive regulation of T cell chemotaxis / CCR chemokine receptor binding / positive regulation of cell-cell adhesion mediated by integrin / positive regulation of homotypic cell-cell adhesion / neutrophil activation / positive regulation of G protein-coupled receptor signaling pathway / phosphatidylinositol-4,5-bisphosphate phospholipase C activity / negative regulation of T cell apoptotic process / chemokine-mediated signaling pathway / positive regulation of T cell apoptotic process / eosinophil chemotaxis / positive regulation of calcium ion transport / positive regulation of monocyte chemotaxis / positive regulation of innate immune response / cell surface receptor signaling pathway via STAT / chemokine activity / regulation of T cell activation / Chemokine receptors bind chemokines / dendritic cell chemotaxis / negative regulation of G protein-coupled receptor signaling pathway / leukocyte cell-cell adhesion / phospholipase activator activity / negative regulation of viral genome replication / positive regulation of smooth muscle cell migration / Interleukin-10 signaling / positive regulation of macrophage chemotaxis / chemoattractant activity / macrophage chemotaxis / exocytosis / monocyte chemotaxis / positive regulation of translational initiation / cellular response to interleukin-1 / cellular response to fibroblast growth factor stimulus / negative regulation by host of viral transcription / positive regulation of TOR signaling / positive regulation of T cell migration / positive regulation of viral genome replication / positive regulation of T cell proliferation / positive regulation of cell adhesion / regulation of insulin secretion / positive regulation of epithelial cell proliferation / epithelial cell proliferation / positive regulation of smooth muscle cell proliferation / response to virus / cellular response to virus / cellular response to type II interferon / response to toxic substance / intracellular calcium ion homeostasis / antimicrobial humoral immune response mediated by antimicrobial peptide / chemotaxis / calcium ion transport / cellular response to tumor necrosis factor / cell-cell signaling / G alpha (i) signalling events / positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction / protein kinase activity / positive regulation of cell migration / G protein-coupled receptor signaling pathway / inflammatory response / protein homodimerization activity / extracellular space / extracellular region / identical protein binding / cytoplasm
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.28 Å

Authors

Liang, W. / Wang, A. / Tang, W.-J.

Citation

Journal: To Be Published
Title: High resolution oligomer crystal structure of CC chemokine 5 (CCL5)
Authors: Liang, W. / Wang, A. / Tang, W.-J.

History

Deposition	Aug 2, 2016	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Aug 9, 2017	Provider: repository / Type: Initial release
Revision 1.1	Oct 4, 2023	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.2	Nov 13, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5l2u.cif.gz	260.3 KB	Display	PDBx/mmCIF format
PDB format	pdb5l2u.ent.gz	216.2 KB	Display	PDB format
PDBx/mmJSON format	5l2u.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/l2/5l2u ftp://data.pdbj.org/pub/pdb/validation_reports/l2/5l2u	HTTPS FTP

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Related structure data

Related structure data	5cmdS S: Starting model for refinement
Similar structure data	5cmd-d 5yi3-1 4i1y-1 1onf-d 4l4h-d 5yi2-1 3v1w-d 4i01-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) 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	#202 - Oct 2016 Dipeptidyl Peptidase 4 similarity (10) #214 - Oct 2017 Chimeric Antigen Receptors similarity (1)

Deposited unit

A: C-C motif chemokine 5

B: C-C motif chemokine 5

C: C-C motif chemokine 5

D: C-C motif chemokine 5

E: C-C motif chemokine 5

F: C-C motif chemokine 5

G: C-C motif chemokine 5

H: C-C motif chemokine 5

I: C-C motif chemokine 5

hetero molecules

68.6 kDa, 9 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: C-C motif chemokine 5

B: C-C motif chemokine 5

C: C-C motif chemokine 5

D: C-C motif chemokine 5

E: C-C motif chemokine 5

F: C-C motif chemokine 5

hetero molecules

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

2

G: C-C motif chemokine 5

H: C-C motif chemokine 5

I: C-C motif chemokine 5

hetero molecules

G: C-C motif chemokine 5

H: C-C motif chemokine 5

I: C-C motif chemokine 5

hetero molecules

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

Unit cell

Length a, b, c (Å)	121.799, 210.082, 126.718
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	21
Space group name H-M	C222

#1: Protein	C-C motif chemokine 5 / EoCP / Eosinophil chemotactic cytokine / SIS-delta / Small-inducible cytokine A5 / T cell-specific ...EoCP / Eosinophil chemotactic cytokine / SIS-delta / Small-inducible cytokine A5 / T cell-specific protein P228 / TCP228 / T-cell-specific protein RANTES Mass: 7514.645 Da / Num. of mol.: 9 / Fragment: UNP residues 27-91 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: CCL5, D17S136E, SCYA5 / Production host: Escherichia coli (E. coli) / References: UniProt: P13501
#2: Chemical	ChemComp-EPE / 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / HEPES Mass: 238.305 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₈H₁₈N₂O₄S / Comment: pH buffer*YM
#3: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#4: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₃H₈O₃
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 396 / Source method: isolated from a natural source / Formula: H₂O
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: 5.99 Å³/Da / Density % sol: 79.48 %
Crystal grow	Temperature: 303.15 K / Method: vapor diffusion, hanging drop / pH: 6.8 / Details: 0.1 HEPES, 300 mM NaCl, 3.5% 2-propanol / PH range: 6.8-7.2

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.97926 Å
Detector	Type: DECTRIS PILATUS3 X 6M / Detector: PIXEL / Date: Jul 21, 2016
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97926 Å / Relative weight: 1
Reflection	Resolution: 2.28→48.648 Å / Num. obs: 76849 / % possible obs: 99.8 % / Redundancy: 6.5 % / Net I/σ(I): 33.74

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Processing

Software

Name	Version	Classification
PHENIX	1.10.1_2155	refinement
HKL-3000		data reduction
HKL-3000		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 5CMD

5cmd

Resolution: 2.28→48.648 Å / SU ML: 0.21 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 21.58 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2091	3322	2.61 %
R_work	0.1785	-	-
obs	0.1793	76849	88.85 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 2.28→48.648 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	4701	0	59	396	5156

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.008	4922
X-RAY DIFFRACTION	f_angle_d	0.881	6675
X-RAY DIFFRACTION	f_dihedral_angle_d	14.346	3071
X-RAY DIFFRACTION	f_chiral_restr	0.053	700
X-RAY DIFFRACTION	f_plane_restr	0.005	838

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 (%)
2.28-2.3126	0.3014	61	0.221	2447	X-RAY DIFFRACTION	42
2.3126-2.3471	0.2298	65	0.2049	2817	X-RAY DIFFRACTION	48
2.3471-2.3838	0.2219	93	0.1959	3303	X-RAY DIFFRACTION	57
2.3838-2.4228	0.2642	98	0.1958	3700	X-RAY DIFFRACTION	64
2.4228-2.4646	0.2146	119	0.1899	4341	X-RAY DIFFRACTION	75
2.4646-2.5094	0.1746	131	0.2129	4788	X-RAY DIFFRACTION	81
2.5094-2.5577	0.2828	133	0.2099	5019	X-RAY DIFFRACTION	87
2.5577-2.6099	0.2295	144	0.2005	5263	X-RAY DIFFRACTION	90
2.6099-2.6667	0.2369	148	0.2039	5493	X-RAY DIFFRACTION	95
2.6667-2.7287	0.2399	148	0.2052	5647	X-RAY DIFFRACTION	97
2.7287-2.7969	0.2225	152	0.2082	5797	X-RAY DIFFRACTION	99
2.7969-2.8725	0.2472	168	0.218	5774	X-RAY DIFFRACTION	100
2.8725-2.957	0.2609	162	0.2182	5793	X-RAY DIFFRACTION	99
2.957-3.0525	0.3346	150	0.2073	5802	X-RAY DIFFRACTION	100
3.0525-3.1616	0.1769	158	0.2118	5773	X-RAY DIFFRACTION	100
3.1616-3.2881	0.3464	146	0.2112	5860	X-RAY DIFFRACTION	100
3.2881-3.4377	0.2532	150	0.1868	5808	X-RAY DIFFRACTION	100
3.4377-3.6189	0.2683	156	0.1835	5818	X-RAY DIFFRACTION	100
3.6189-3.8456	0.1791	163	0.1645	5755	X-RAY DIFFRACTION	99
3.8456-4.1423	0.1819	160	0.1475	5800	X-RAY DIFFRACTION	100
4.1423-4.5589	0.1306	149	0.1268	5802	X-RAY DIFFRACTION	99
4.5589-5.2179	0.1485	152	0.1379	5777	X-RAY DIFFRACTION	100
5.2179-6.5715	0.1823	159	0.1605	5802	X-RAY DIFFRACTION	100
6.5715-48.6591	0.164	157	0.1716	5792	X-RAY DIFFRACTION	99

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	4.1904	-0.6338	-0.6534	0.5816	-1.2719	3.9693	0.0345	0.1955	-0.13	0.0186	0.0355	0.0197	0.1284	0.0561	-0.0611	0.3416	-0.2037	0.0248	0.2522	0.0182	0.239	29.4733	244.0955	32.7272
2	2.3134	1.2105	0.4476	1.6383	0.1078	2.2506	0.0016	0.142	0.1598	0.0073	0.0265	0.0538	0.0067	-0.0447	-0.0193	0.3008	-0.1665	0.0525	0.2908	0.0347	0.2412	30.6639	246.4735	26.6516
3	6.0772	-3.4766	1.7377	4.2229	-0.7489	4.8317	0.038	-0.3921	-0.0733	0.024	0.0915	0.3104	0.1288	-0.2897	-0.0972	0.2983	-0.1655	0.0596	0.2655	0.0481	0.2922	27.9664	241.9962	26.2687
4	3.8125	0.7273	-0.6619	3.9665	-5.466	8.0544	0.0302	0.5352	0.2488	-0.4002	-0.1037	-0.1835	0.4446	0.1806	0.0484	0.3006	-0.1451	0.0832	0.4096	-0.0079	0.3039	35.5202	242.8622	17.3283
5	4.9689	4.6314	5.0612	8.9048	5.7345	6.9431	-0.5706	0.5556	-0.5635	-1.1126	0.2196	1.3804	0.7983	-1.1553	0.3446	0.6489	-0.2367	0.0479	0.4169	-0.0315	0.5258	24.2576	243.5285	34.5682
6	1.5336	1.1868	0.0592	1.2312	-0.3636	0.5383	-0.044	-0.005	0.2869	0.0983	0.0402	0.3096	-0.2472	0.0383	-0.0139	0.4883	-0.1308	0.0431	0.179	0.0261	0.321	25.6302	260.7585	45.6669
7	3.5481	-0.5623	-0.4362	3.9356	-0.4446	1.3152	-0.0038	0.0967	0.1666	-0.226	0.0807	0.57	-0.1378	-0.0678	-0.1698	0.4426	-0.159	0.0167	0.1636	0.0132	0.3354	20.5492	253.8905	46.4265
8	5.1116	1.4278	0.1317	5.5211	0.0843	4.6168	-0.2295	0.4835	0.4121	-0.332	0.1082	0.3131	-0.2521	-0.1665	0.0912	0.5617	-0.1464	0.0034	0.2286	0.0585	0.293	20.8556	258.963	45.3942
9	4.5815	6.1797	-1.2808	8.5101	-1.546	3.8912	0.2019	-0.5206	0.1271	1.0297	-0.3079	0.6851	0.1025	-0.2387	0.0083	0.6996	-0.0476	0.2225	0.2327	-0.01	0.4535	15.53	257.521	55.6087
10	4.3363	-0.9104	0.4491	1.281	-1.8127	3.0857	-0.0435	0.1095	0.1727	0.0946	-0.0612	0.2162	0.1334	-0.0373	0.0608	0.4105	-0.2183	0.0198	0.2579	0.0149	0.3289	16.8919	229.5143	35.6504
11	3.3025	1.4727	0.5221	1.2998	0.2574	0.8629	0.1633	-0.0138	0.1282	0.0653	0.0114	0.2161	0.0629	-0.0361	-0.0878	0.4328	-0.2206	-0.0008	0.3058	0.0509	0.2584	17.6737	233.4161	30.8233
12	2.5496	-3.7788	-1.6456	6.3272	0.8317	4.6408	-0.1974	-0.2377	-0.0573	0.1226	0.3267	0.3443	0.0859	-0.0558	-0.0854	0.4081	-0.2549	0.0698	0.3175	-0.0236	0.3499	13.0741	229.9457	30.618
13	3.6763	2.8065	0.9641	4.545	0.6692	1.3909	-0.1097	0.1894	-0.0531	-0.2305	0.1787	-0.0113	0.0233	-0.0062	0.0401	0.5255	-0.3517	-0.0026	0.6254	-0.0145	0.2358	16.4189	231.7756	19.558
14	2.7434	-0.3793	-0.9983	2.23	-1.3479	1.3773	-0.024	0.0096	0.2085	0.2013	0.0346	0.0527	-0.0148	0.0537	-0.0082	0.5238	-0.1908	-0.0131	0.2307	0.0336	0.3264	22.8236	238.561	49.1578
15	1.1078	-0.5446	-0.3592	4.26	0.0154	0.8774	0.047	-0.0303	0.0468	0.0314	0.113	0.2689	-0.0523	-0.0236	-0.0747	0.5119	-0.1678	0.0428	0.2158	0.0261	0.2532	18.7412	236.2758	53.9817
16	2.8217	-3.8249	1.6419	5.8567	-1.3561	4.6201	0.2197	0.2801	0.3198	0.181	-0.1678	0.1259	-0.0859	0.0555	-0.0987	0.5476	-0.2053	0.0019	0.2235	0.0621	0.3304	19.6892	241.4183	53.8442
17	2.771	2.477	-0.0111	7.0328	-0.078	1.0788	0.3972	-0.2556	-0.0641	0.648	-0.2306	0.0023	-0.0998	0.043	-0.0233	0.8536	-0.165	-0.0011	0.2603	-0.0026	0.2094	19.8193	237.6345	64.6585
18	1.5788	0.0338	0.1808	1.7757	-0.2881	0.9094	0.0173	0.0023	0.3545	0.2253	-0.0692	0.2793	-0.0304	-0.0685	-0.0539	0.3605	-0.2083	-0.004	0.2572	0.0343	0.3356	2.8009	220.9094	39.5044
19	4.708	0.6341	-1.4015	6.3835	-0.0006	6.1631	0.0368	-0.2456	0.0384	0.6099	-0.1128	0.443	-0.0268	-0.3576	0.0857	0.4019	-0.2284	0.0457	0.3986	0.0495	0.3167	-1.6942	220.2723	39.0698
20	4.976	2.217	-2.5567	2.389	-0.8306	3.4044	-0.3304	0.6646	0.4969	-0.5472	0.1015	0.449	-0.2223	-0.1632	0.1131	0.3621	-0.2199	-0.1228	0.5198	0.1535	0.3977	-2.7065	225.1714	28.4846
21	1.0713	-1.1532	0.0019	1.7338	-1.4003	3.9701	-0.0314	-0.1259	0.2531	0.1171	0.0114	-0.0486	-0.0844	0.1548	0.036	0.4649	-0.1541	-0.0356	0.2147	0.0404	0.2847	16.4031	220.5488	51.883
22	0.8034	0.3115	-0.3708	2.6851	-0.2295	1.8961	0.0025	-0.0461	-0.0545	0.154	0.0424	0.0969	-0.0477	-0.0299	0.0232	0.4152	-0.0901	0.007	0.1531	0.0662	0.2575	14.0818	217.9905	57.7652
23	8.5361	-4.5485	-1.4226	6.6144	0.2827	5.1745	0.3423	0.2386	0.3222	-0.1407	-0.2637	-0.0354	-0.3008	-0.0673	-0.0668	0.429	-0.1349	0.0155	0.1519	0.0633	0.2511	16.6424	222.545	58.1711
24	4.203	5.3928	-4.1918	7.4308	-5.1232	4.5316	-0.1589	-0.5372	-0.3672	0.4835	-0.0456	0.0638	0.1029	0.515	0.1257	0.5282	-0.0275	-0.0461	0.2331	0.0803	0.2978	19.9179	215.6342	67.1384
25	1.1321	0.9613	-1.5049	2.5479	0.0141	2.9645	0.1035	0.026	0.0251	0.1784	-0.1082	-0.2364	0.1054	0.2404	-0.0037	0.1392	-0.0531	0.0118	0.4983	0.0515	0.2814	47.842	253.6306	9.8404
26	2.8434	0.7919	0.187	1.1485	0.3819	2.1643	0.1156	0.0169	0.1089	0.0841	-0.0207	0.1405	-0.083	0.0174	-0.022	0.1457	-0.0554	0.0568	0.4477	0.0419	0.2326	44.3624	254.3811	15.5008
27	3.811	2.9536	-0.4021	3.372	1.5738	5.8523	-0.1934	0.1069	0.1478	-0.3308	0.2682	-0.1802	-0.2607	0.2964	-0.0691	0.1166	-0.0338	0.029	0.434	0.0448	0.2978	49.573	254.3619	15.9571
28	3.884	-2.7875	-5.6339	4.8144	2.921	9.0344	-0.0958	-0.3713	-0.1413	0.6242	-0.0953	0.2636	0.4527	0.3771	0.1357	0.2636	-0.1279	0.0446	0.5192	0.0704	0.27	45.2258	248.1463	24.9037
29	3.7113	-0.0832	-0.8663	2.0419	-0.0684	1.0476	0.094	-0.1213	0.4117	0.0297	-0.1233	-0.1061	-0.0846	0.0107	-0.0227	0.1241	0.0611	0.0281	0.5062	0.0278	0.3008	40.9026	265.0267	-3.0216
30	9.1265	-0.0411	-1.3629	3.0318	0.2992	3.6068	-0.0064	-0.7601	0.4416	0.2402	-0.0504	0.1463	-0.175	0.1714	-0.0294	0.1566	0.0711	0.0495	0.5366	-0.0126	0.2695	39.2837	269.4369	-3.1352
31	5.8814	1.9967	-1.7801	5.0081	1.0107	3.6329	0.0829	0.9915	0.7555	-0.4685	-0.1817	-0.1094	-0.2013	0.2025	0.0429	0.2838	0.1877	0.0705	0.6231	0.2005	0.431	42.3222	273.041	-13.5081
32	1.9869	1.6922	-0.8227	2.6721	1.3572	3.7802	-0.0166	-0.1427	0.3679	0.045	-0.1624	-0.0282	-0.0969	0.0364	0.1601	0.1418	-0.0077	0.0151	0.5993	-0.0069	0.3287	65.9331	257.7105	6.4503
33	3.2016	1.4648	-0.2651	1.7325	0.0511	0.5893	0.0703	0.0723	0.2389	0.0427	0.07	0.1022	-0.0409	0.0628	-0.0247	0.146	-0.0535	0.0431	0.5671	-0.0296	0.2541	62.5762	259.55	11.7935
34	3.6205	-0.201	-0.1109	8.3992	-1.5997	4.2234	0.1071	-0.1717	0.2204	-0.4067	-0.027	-0.186	0.023	0.0928	-0.0745	0.123	-0.0533	0.016	0.6213	0.0337	0.2925	67.5421	261.315	11.6301
35	1.9734	0.7649	0.1571	2.3588	0.6473	1.1871	0.075	-0.7582	0.0477	0.1466	0.0526	-0.0712	0.0219	0.0217	-0.0365	0.2763	-0.1896	-0.0122	0.8525	0.0012	0.2479	64.2736	259.3597	22.6234

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 4 through 20 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 21 through 43 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 44 through 55 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 56 through 68 )
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 4 through 8 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 9 through 20 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 21 through 43 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 44 through 55 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 56 through 68 )
10	X-RAY DIFFRACTION	10	chain 'C' and (resid 4 through 20 )
11	X-RAY DIFFRACTION	11	chain 'C' and (resid 21 through 43 )
12	X-RAY DIFFRACTION	12	chain 'C' and (resid 44 through 55 )
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 56 through 68 )
14	X-RAY DIFFRACTION	14	chain 'D' and (resid 5 through 20 )
15	X-RAY DIFFRACTION	15	chain 'D' and (resid 21 through 43 )
16	X-RAY DIFFRACTION	16	chain 'D' and (resid 44 through 55 )
17	X-RAY DIFFRACTION	17	chain 'D' and (resid 56 through 68 )
18	X-RAY DIFFRACTION	18	chain 'E' and (resid 4 through 43 )
19	X-RAY DIFFRACTION	19	chain 'E' and (resid 44 through 55 )
20	X-RAY DIFFRACTION	20	chain 'E' and (resid 56 through 68 )
21	X-RAY DIFFRACTION	21	chain 'F' and (resid 5 through 20 )
22	X-RAY DIFFRACTION	22	chain 'F' and (resid 21 through 43 )
23	X-RAY DIFFRACTION	23	chain 'F' and (resid 44 through 55 )
24	X-RAY DIFFRACTION	24	chain 'F' and (resid 56 through 68 )
25	X-RAY DIFFRACTION	25	chain 'G' and (resid 5 through 20 )
26	X-RAY DIFFRACTION	26	chain 'G' and (resid 21 through 43 )
27	X-RAY DIFFRACTION	27	chain 'G' and (resid 44 through 55 )
28	X-RAY DIFFRACTION	28	chain 'G' and (resid 56 through 68 )
29	X-RAY DIFFRACTION	29	chain 'H' and (resid 5 through 38 )
30	X-RAY DIFFRACTION	30	chain 'H' and (resid 39 through 55 )
31	X-RAY DIFFRACTION	31	chain 'H' and (resid 56 through 68 )
32	X-RAY DIFFRACTION	32	chain 'I' and (resid 4 through 20 )
33	X-RAY DIFFRACTION	33	chain 'I' and (resid 21 through 43 )
34	X-RAY DIFFRACTION	34	chain 'I' and (resid 44 through 55 )
35	X-RAY DIFFRACTION	35	chain 'I' and (resid 56 through 68 )

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