PDB-3en0: The Structure of Cyanophycinase

ID or keywords:

Entry

Database: PDB / ID: 3en0

Title

The Structure of Cyanophycinase

Components

Cyanophycinase

Keywords

HYDROLASE /

serine protease / beta peptide specific /

Protease

Function / homology

Function and homology information

cyanophycinase / serine-type peptidase activity / protein homodimerization activity /

Biological species

Synechocystis sp. (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 1.5 Å

Authors

Kimber, M.S. / Law, A.M. / Lai, S.W.S. / Tavares, J.

Citation

Journal: J.Mol.Biol. / Year: 2009
Title: The structural basis of beta-peptide-specific cleavage by the serine protease cyanophycinase.
Authors: Law, A.M. / Lai, S.W. / Tavares, J. / Kimber, M.S.

History

Deposition	Sep 25, 2008	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jul 28, 2009	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Refinement description ...Advisory / Refinement description / Source and taxonomy / Version format compliance
Revision 1.2	Feb 21, 2024	Group: Data collection / Database references / Derived calculations Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_ref_seq_dif / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/en/3en0 ftp://data.pdbj.org/pub/pdb/validation_reports/en/3en0	HTTPS FTP

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Related structure data

Related structure data	1fy2 1fye
Similar structure data	1sat-d 6rnk-d 5g6s-1 3hbu-d 4v2k-1 6eoh-d 5ocm-3 5ocm-2 1go7-d 1af0-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	#215 - Nov 2017 Aspartate Transcarbamoylase similarity (1) #57 - Sep 2004 Catalase similarity (1)

Deposited unit

A: Cyanophycinase

B: Cyanophycinase

C: Cyanophycinase

hetero molecules

95.1 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Cyanophycinase

B: Cyanophycinase

hetero molecules

defined by author&software
63.4 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: Cyanophycinase

hetero molecules

C: Cyanophycinase

hetero molecules

defined by author&software
63.4 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	75.847, 133.008, 164.306
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	20
Space group name H-M	C222₁

#1: Protein	Cyanophycinase / Mass: 31595.990 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Synechocystis sp. (bacteria) / Strain: PCC 6803 / Gene: cphB, slr2001 / Plasmid: pET28a / Production host: Escherichia coli (E. coli) / Strain (production host): Rosetta / References: UniProt: P73832, cyanophycinase
#2: Chemical	ChemComp-SO4 / SULFATE ION / Sulfate Mass: 96.063 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: SO₄
#3: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 787 / 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: 2.19 Å³/Da / Density % sol: 43.73 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6.6 Details: 12 mg/ml protein, 1.6 M ammonium sulfate, 0.1 M MES, 12% v/v dioxane, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 17-ID / Wavelength: 1 Å
Detector	Type: ADSC QUANTUM 210 / Detector: CCD / Date: Mar 18, 2007
Radiation	Monochromator: SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 1.5→50 Å / Num. all: 132508 / Num. obs: 130519 / % possible obs: 98.5 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Redundancy: 6.5 % / R_merge(I) obs: 0.048 / Net I/σ(I): 16.2
Reflection shell	Resolution: 1.5→1.55 Å / R_merge(I) obs: 0.463 / Mean I/σ(I) obs: 3.2 / % possible all: 97.8

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Processing

Software

Name	Version	Classification
ADSC	Quantum	data collection
PHENIX		model building
REFMAC	5.2.0019	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

SAD / Resolution: 1.5→50 Å / Cor.coef. F_o:F_c: 0.971 / Cor.coef. F_o:F_c free: 0.963 / SU B: 2.02 / SU ML: 0.039 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R: 0.066 / ESU R Free: 0.066 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.17914	6478	5 %	RANDOM
R_work	0.15622	-	-	-
obs	0.15737	123190	97.92 %	-
all	-	132508	-	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 15.625 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.02 Å²	0 Å²	0 Å²
2-	-	-0.03 Å²	0 Å²
3-	-	-	0.05 Å²

Refinement step

Cycle: LAST / Resolution: 1.5→50 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	6023	0	15	787	6825

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.011	0.021	6416
X-RAY DIFFRACTION	r_bond_other_d	0.002	0.02	4425
X-RAY DIFFRACTION	r_angle_refined_deg	1.37	1.958	8685
X-RAY DIFFRACTION	r_angle_other_deg	0.931	3	10773
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.396	5	795
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	36.481	23.013	302
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	13.039	15	1151
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	14.082	15	68
X-RAY DIFFRACTION	r_chiral_restr	0.084	0.2	1005
X-RAY DIFFRACTION	r_gen_planes_refined	0.005	0.02	7092
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	1302
X-RAY DIFFRACTION	r_nbd_refined	0.206	0.2	1216
X-RAY DIFFRACTION	r_nbd_other	0.201	0.2	4958
X-RAY DIFFRACTION	r_nbtor_refined	0.172	0.2	3095
X-RAY DIFFRACTION	r_nbtor_other	0.085	0.2	3530
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.131	0.2	575
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.224	0.2	13
X-RAY DIFFRACTION	r_symmetry_vdw_other	0.244	0.2	64
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.141	0.2	45
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_symmetry_metal_ion_refined
X-RAY DIFFRACTION	r_symmetry_metal_ion_other
X-RAY DIFFRACTION	r_mcbond_it	0.975	1.5	5198
X-RAY DIFFRACTION	r_mcbond_other	0.194	1.5	1651
X-RAY DIFFRACTION	r_mcangle_it	1.147	2	6445
X-RAY DIFFRACTION	r_scbond_it	1.948	3	2670
X-RAY DIFFRACTION	r_scangle_it	2.855	4.5	2240
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 1.5→1.539 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.253	455	-
R_work	0.207	9026	-
obs	-	-	97.73 %

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	1.2089	-0.1129	0.1205	4.9331	2.2658	2.3821	-0.1155	0.2597	0.1374	-0.324	0.0599	0.1282	-0.219	-0.0052	0.0556	-0.0254	-0.0243	-0.0498	0.0178	0.0211	-0.0396	-14.852	42.946	-22.6
2	3.6457	0.2474	-0.4873	6.5781	4.8339	8.3207	-0.0482	0.3723	0.3413	-0.7039	0.1139	-0.1594	-0.8606	0.4042	-0.0657	0.067	-0.0962	-0.0187	0.0539	0.0699	-0.0707	-10.166	47.34	-28.132
3	7.4339	-0.1211	0.645	1.9289	0.5043	4.1129	-0.0659	0.5902	0.012	-0.469	0.0725	-0.0501	-0.2783	0.3139	-0.0066	0.0282	-0.0666	-0.0357	0.0333	0.0086	-0.152	-15.342	39.787	-34.73
4	10.168	3.2053	-2.157	5.1033	-3.2367	9.1821	-0.0126	0.5251	0.9849	-0.0777	0.0959	1.0637	-1.0667	-0.9489	-0.0833	0.0635	0.1176	-0.1749	0.0367	0.039	0.0742	-30.177	49.714	-26.87
5	9.2523	-0.6973	-3.0432	4.7515	0.8999	11.2116	-0.037	0.7293	0.266	-0.8189	-0.0834	-0.0889	-0.6651	-0.0166	0.1205	0.1218	-0.0632	-0.1179	-0.0245	0.1195	-0.13	-17.174	48.849	-34.305
6	6.1357	-0.8273	1.3174	0.2764	-0.8856	3.3223	0.056	0.5363	0.0543	-0.3997	-0.1141	0.4629	-0.4785	-0.4804	0.0581	0.0726	0.0203	-0.0764	0.0213	-0.0542	0.0862	-31.792	41.22	-32.595
7	4.3589	2.2304	0.5426	2.7687	-0.2701	4.7472	-0.1991	0.8946	0.0394	-0.4012	0.2761	0.1376	0.1534	-0.0677	-0.077	0.0372	-0.0413	-0.1246	0.0892	-0.0084	-0.0504	-29.903	34.035	-37.486
8	2.9241	-0.188	-1.2662	1.0871	0.9416	3.8365	-0.0378	0.1031	0.1027	-0.1922	-0.0942	0.2043	-0.1622	-0.2051	0.1321	-0.0357	-0.011	-0.0753	0.003	0.0013	-0.0414	-24.166	40.954	-24.762
9	2.4276	-0.2661	0.7875	4.0749	5.3759	7.63	0.0006	-0.0785	0.1297	-0.2633	-0.1104	0.304	0.0675	-0.5436	0.1098	-0.0461	-0.0482	-0.0624	0.0913	-0.022	-0.0016	-32.582	35.628	-24.669
10	6.7657	-0.374	1.4391	2.9916	1.0974	3.9709	0.0545	0.134	-0.3332	-0.1839	-0.0159	0.125	0.342	-0.1129	-0.0386	0.0143	-0.0371	-0.0543	-0.0079	-0.043	-0.038	-21.86	27.848	-30.073
11	1.6206	0.1669	-0.9481	0.272	-0.9972	3.7308	-0.0972	0.061	0.0239	-0.1657	-0.0073	0.2994	0.0519	-0.2133	0.1045	-0.0339	-0.0299	-0.0549	0.0248	-0.0094	-0.0159	-20.873	39.045	-21.167
12	0.6811	-0.499	-0.4205	1.2418	1.4743	4.1191	-0.0123	0.022	-0.0174	-0.0866	-0.1799	0.2608	-0.0723	-0.495	0.1922	-0.0928	-0.0375	-0.0135	0.0393	-0.0023	0.0065	-25.842	38.51	-7.178
13	1.4832	1.0496	1.9196	1.6603	2.1572	6.931	0.0961	0.0766	-0.1501	0.0072	0.0528	0.0201	0.0185	-0.382	-0.149	-0.0788	-0.0485	-0.0073	0.0539	-0.0004	0.0045	-27.452	37.451	-0.976
14	0.4655	0.149	0.6641	1.2396	-0.1872	3.028	0.0231	0.0757	0.0157	-0.2049	-0.0477	0.0768	0.202	-0.2375	0.0246	-0.0562	-0.0413	-0.0166	0.0258	-0.017	0.0084	-20.663	34.416	-14.969
15	2.0685	1.503	-0.3098	2.9882	0.3926	2.7918	0.0453	0.0316	-0.0205	0.0261	-0.047	0.1467	-0.144	-0.1077	0.0016	-0.06	-0.0095	-0.0088	0.0002	-0.0033	-0.0039	-19.275	43.882	-5.171
16	0.2315	0.3885	0.7435	5.7642	0.8599	2.4175	-0.0024	0.1183	0.0604	0.002	-0.0927	0.2757	0.403	-0.3006	0.0951	-0.0254	-0.0701	-0.014	0.0148	-0.0061	0.0174	-19.79	30.42	-5.584
17	1.7835	0.2012	0.674	3.2714	1.5673	2.6973	-0.0016	0.2021	-0.0536	-0.1705	0.015	0.0397	0.0344	0.0749	-0.0133	-0.0404	-0.0183	-0.0189	0.0122	0.0047	-0.0344	-11.489	37.414	-19.083
18	1.4779	0.797	0.1099	3.414	-0.0329	2.614	-0.0098	0.1243	0.0249	-0.2491	0.1248	-0.0508	-0.0527	0.1474	-0.115	-0.0526	-0.0201	-0.0244	0.0116	0.0146	-0.0172	-7.601	39.69	-15.877
19	2.1277	0.4452	-1.5719	1.6501	-0.3478	2.6313	-0.1827	0.2008	-0.0059	-0.0615	0.1028	0.0908	0.4564	-0.2856	0.0798	-0.0185	-0.0529	-0.0156	-0.036	0.0113	-0.0025	-15.575	28.266	0.353
20	7.0736	-1.0661	-0.6702	2.6359	-1.0933	2.1028	-0.0248	-0.0977	-0.2908	0.014	0.1179	0.3154	0.0933	-0.2126	-0.0931	-0.0421	-0.0676	-0.0044	-0.0064	0.0112	0.0044	-24.723	32.994	7.805
21	1.0938	1.3817	-1.8155	2.8169	-3.0015	5.5386	0.0559	0.0799	0.0136	-0.0103	0.0151	0.0166	0.09	0.0363	-0.071	-0.0521	-0.0126	-0.0223	-0.0009	0.0098	-0.0132	-6.089	35.978	-7.227
22	20.0679	14.0655	3.0143	15.7698	2.9616	3.0695	-0.1964	0.538	-0.963	0.0583	0.4624	-0.7357	0.6655	0.2926	-0.266	-0.0219	0.0527	-0.0123	-0.0212	-0.0248	-0.0288	-3.157	29.999	-12.184
23	3.4882	-0.9493	1.499	1.5052	-0.3638	2.1916	-0.0286	-0.098	0.0268	0.1285	-0.0418	0.1362	-0.1234	-0.1469	0.0705	-0.0028	-0.0375	0.0155	-0.019	-0.0144	-0.0425	-16.031	46.538	22.242
24	4.9178	-0.8638	2.9858	2.9474	-2.3493	6.9676	-0.0313	-0.3188	-0.0654	0.2657	0.1038	0.3773	0.0962	-0.728	-0.0725	-0.0267	-0.0506	0.0603	0.0724	-0.0166	-0.0223	-22.44	45.093	27.551
25	2.1906	1.5545	0.4969	4.3295	-0.0043	2.0924	-0.0206	-0.1526	-0.0195	0.1955	-0.055	0.15	0.0703	-0.2396	0.0756	0	-0.0215	0.0375	0.0028	-0.0093	-0.0768	-13.999	47.126	34.585
26	11.4088	0.9889	-4.7422	1.1527	-1.3594	7.2397	0.1054	0.0576	0.6649	0.0294	-0.006	0.1064	-1.0026	-0.3644	-0.0994	0.1422	0.048	-0.0329	-0.058	-0.0158	-0.021	-15.239	63.606	24.434
27	1.8204	0.3386	1.02	3.6437	-2.0157	6.9666	-0.1816	-0.0632	0.0635	0.1455	-0.0391	0.2197	-0.3216	-0.4358	0.2207	-0.0444	0.0211	0.0388	0.0296	-0.0552	-0.0353	-21.162	52.743	32.811
28	4.042	1.6839	-1.6452	2.1541	-1.2317	2.6976	-0.0696	0.1383	0.3134	0.1934	0.0213	0.0974	-0.5117	-0.1118	0.0482	0.0861	-0.0194	-0.038	-0.06	-0.0054	-0.0619	-7.349	61.989	30.936
29	2.1814	1.3179	-0.4181	3.3756	-0.6235	5.1638	0.0127	-0.0805	0.0684	0.0794	-0.0947	0.0613	-0.19	0.0775	0.0819	0.0217	-0.001	-0.0102	-0.0224	-0.0033	-0.072	-2.244	57.747	36.825
30	0.6742	0.1294	-0.1285	0.9869	-0.5888	2.4975	-0.1032	0.0379	0.0369	0.0138	0.0028	0.0465	-0.1864	0.0081	0.1004	0.0194	-0.0292	-0.0077	-0.0153	-0.0055	-0.0574	-10.075	54.114	23.893
31	3.0659	-0.4912	4.0069	0.8497	-1.1255	5.9308	-0.2643	0.1115	0.0802	-0.064	0.1813	-0.0223	-0.2844	0.178	0.0829	0.0452	-0.0723	-0.0147	0.0113	0.0101	-0.0745	-1.322	59.123	23.822
32	3.8686	1.1697	0.1316	7.6659	-0.1445	2.9524	-0.1764	0.0095	-0.1614	0.079	0.1813	-0.4938	0.0144	0.1264	-0.005	-0.0124	-0.0085	-0.0037	-0.0064	-0.0193	-0.0384	0.078	46.895	31.057
33	0.4723	-0.1371	-1.2901	0.0398	0.3746	3.5236	-0.076	0.0027	0.103	-0.0108	-0.03	-0.0054	-0.1819	0.1997	0.106	0.0261	-0.0583	-0.0093	-0.0003	0.0041	-0.0399	-9.639	49.821	20.867
34	0.1972	-0.1723	0.5295	0.624	-0.498	3.2229	-0.0583	-0.061	0.0613	0.0782	-0.033	0.0158	-0.4324	0.0747	0.0913	-0.002	-0.0671	-0.0066	-0.0077	0.0088	-0.0325	-5.705	52.035	6.705
35	0.4886	0.3538	1.0811	0.5277	0.3888	4.956	0.1196	-0.0631	-0.1195	0.0301	-0.0219	-0.0469	-0.2798	0.1534	-0.0977	-0.0051	-0.0575	-0.0068	0.0097	0.0115	-0.0268	-3.463	52.07	0.642
36	1.3028	-0.4949	0.1613	0.8828	0.6925	2.9062	-0.0408	-0.0558	-0.1192	0.141	0.0904	0.0911	-0.1268	0.2434	-0.0496	-0.0013	-0.0672	-0.0059	-0.0037	0.0218	-0.0374	-5.105	46.56	15.282
37	3.0816	0.617	-0.1849	1.6697	-0.609	3.3284	0.0235	-0.0067	0.0541	0.1125	-0.0656	0.043	-0.12	-0.1341	0.0421	-0.016	-0.0368	-0.0142	-0.0053	0.0143	-0.0385	-13.361	48.453	4.568
38	6.6312	-1.5766	1.6022	0.738	-1.2487	4.5779	-0.0407	0.1578	0.3255	0.1017	-0.175	0.0068	-0.104	0.7052	0.2157	-0.0453	-0.0624	-0.0262	0.0649	0.0297	-0.0353	-1.411	42.985	6.809
39	2.9131	-0.6674	1.4219	0.9379	-0.0034	1.4057	-0.0484	-0.0559	-0.0118	0.0997	0.0464	0.0233	0.0484	-0.0939	0.002	-0.0013	-0.0394	0.0093	-0.0227	-0.0064	-0.0328	-12.515	40.545	19.809
40	2.7509	-0.5177	0.1625	0.7125	-0.4436	2.4446	0.0285	-0.1022	-0.0442	0.0823	0.027	0.107	0.0631	-0.1657	-0.0555	-0.0092	-0.0656	0.0119	-0.0231	-0.0115	-0.0129	-16.017	37.788	16.717
41	3.5921	1.1459	-2.5307	1.558	-2.2863	4.9271	0.1155	-0.4664	-0.0158	0.0914	-0.3066	-0.0554	0.046	0.7285	0.1911	-0.0662	-0.0125	-0.0153	0.0233	-0.0021	-0.0073	-0.974	37.078	1.534
42	0.8809	1.4766	-0.6606	7.9506	-0.6076	0.693	-0.0029	-0.084	-0.0397	-0.0461	0.0795	-0.2795	-0.0771	0.1815	-0.0766	-0.0503	-0.0249	-0.003	0.0118	-0.0017	-0.0011	-0.031	46.189	-7.158
43	3.8039	0.146	-4.1702	0.4124	-0.8476	6.4397	0.058	-0.0069	-0.0032	0.1023	-0.0084	0.0227	0.1636	-0.0178	-0.0497	-0.0182	-0.0599	-0.0016	-0.0217	-0.0075	-0.0163	-12.914	33.498	8.784
44	28.2774	14.7402	3.723	18.1055	2.0737	3.4036	0.7045	-0.3942	-1.2218	0.5685	-0.3698	-0.9729	0.5277	0.2658	-0.3347	0.0063	-0.0085	-0.0517	-0.0637	0.0227	-0.0219	-9.735	28.733	14.514
45	4.0824	0.9215	-1.5319	0.6256	-0.9524	3.8359	-0.0656	-0.1194	0.1297	0.1779	-0.0533	-0.0497	-0.1063	0.3218	0.1189	-0.0127	-0.0028	-0.0294	-0.0058	0.042	-0.0353	23.325	69.904	22.3
46	3.6811	1.3074	-3.1017	3.7023	-0.3484	8.0688	0.0851	-0.2704	0.4212	0.1467	-0.0014	-0.1725	-0.7861	0.4151	-0.0836	0.0646	-0.0668	-0.0496	-0.026	-0.008	-0.0097	25.055	77.122	26.404
47	4.0268	-2.5182	0.3419	5.5398	-1.033	2.6493	-0.0723	-0.3598	0.198	0.3418	0.0301	-0.0339	-0.3049	0.1411	0.0423	0.0124	-0.0265	-0.036	-0.0143	-0.0075	-0.0983	21.691	70.222	34.666
48	2.2531	3.7358	3.8318	15.6105	7.5629	9.9807	0.0156	0.1997	-0.1791	0.3649	0.4548	-1.3131	0.3231	1.6601	-0.4704	-0.0813	0.0798	-0.0367	0.2793	0.0536	0.0396	37.374	61.405	26.998
49	4.4982	-1.9674	-2.5246	4.2322	1.445	5.1767	-0.0537	-0.3137	0.29	0.3357	-0.1626	-0.2642	-0.2418	0.5622	0.2163	-0.0006	-0.0852	-0.0958	0.0489	0.0065	-0.0741	30.388	73.043	33.182
50	4.2272	-3.3431	-0.7467	13.2071	6.6142	7.863	-0.2081	-0.2308	-0.1935	0.7713	0.163	-0.2262	0.7612	0.7257	0.0452	-0.0012	0.0445	-0.0486	0.0627	0.0863	-0.1085	31.504	57.717	34.309
51	11.4716	-2.2442	-2.2787	3.3709	0.5449	8.3808	0.0098	-0.1047	-0.3442	0.3057	-0.2336	-0.0697	0.1954	0.0674	0.2237	0.0082	-0.0304	-0.02	0.0239	0.0589	-0.0811	23.936	57.618	40.668
52	1.0294	-0.0757	-0.4605	1.4765	0.9586	4.1334	-0.052	-0.1198	0.0441	0.0564	-0.0421	-0.1425	0.1444	0.4068	0.094	-0.0129	0.0313	-0.0138	0.0235	0.0575	-0.0702	26.615	61.484	25.801
53	6.7539	0.6173	-8.3546	1.9274	-2.8301	12.6172	-0.0639	-0.2172	-0.2065	0.0193	-0.038	-0.1449	0.52	0.2574	0.1019	0.092	0.068	-0.0059	-0.0241	0.0552	-0.0804	26.419	51.502	27.587
54	4.5816	-2.5498	1.5277	5.0781	-2.3148	5.4301	0.1549	-0.3838	-0.3155	-0.1538	0.0096	0.214	0.2597	-0.1831	-0.1645	0.0022	-0.0297	-0.0073	0.0119	0.0541	-0.0573	14.671	57.749	32.847
55	0.7257	0.0072	1.2314	1.4743	1.4544	3.5002	-0.0415	-0.078	-0.0396	0.1427	-0.0742	-0.1011	0.304	0.238	0.1157	0.0151	0.0279	0.0069	-0.0095	0.0544	-0.0413	22.988	62.565	22.15
56	1.3528	-0.1295	-0.8687	0.0978	-0.3686	4.0349	-0.0256	-0.1003	-0.0722	0.0643	-0.0421	-0.0267	0.4587	0.4605	0.0677	0.0524	0.0506	0.0055	-0.0489	0.0455	-0.0309	24.208	55.71	8.917
57	0.8331	0.0151	-0.5519	0.0248	-0.4217	7.2714	0.0294	0.0134	-0.0417	0.1307	-0.0076	0.092	0.5578	0.3753	-0.0218	0.0857	0.0682	0.0223	-0.0415	0.0451	-0.0263	23.558	52.709	3.157
58	0.9406	0.0813	0.6858	1.194	0.244	2.6234	-0.0093	-0.1102	-0.0158	0.1757	-0.0055	-0.0026	0.2687	0.0108	0.0148	0.0168	0.0263	0.0267	-0.0333	0.0536	-0.0298	18.472	59.317	16.584
59	0.995	0.0679	-0.6361	2.9637	0.4818	4.1038	-0.0676	-0.0503	0.0019	0.0123	0.0261	-0.059	0.0276	0.3006	0.0416	-0.0237	0.0237	0.0104	-0.0059	0.0466	-0.0272	25.207	63.673	5.514
60	3.2324	0.8751	-1.112	1.6244	1.3824	3.0074	-0.1766	-0.0166	-0.1639	0.2893	-0.1205	0.0595	0.5632	-0.1222	0.297	0.0697	-0.0283	0.0273	-0.0423	0.0426	-0.0162	14.309	56.481	8.042
61	2.0319	1.1489	-1.0284	1.581	-1.4163	2.9867	0.0122	-0.1786	0.064	0.0938	-0.0446	-0.0224	-0.0853	0.0508	0.0324	-0.02	0.0036	-0.0177	-0.0216	0.0291	-0.0271	16.57	69.358	19.255
62	2.8581	1.5551	-0.4167	1.8926	-0.4447	2.0609	0.0993	-0.1609	0.1262	0.1444	-0.0626	0.026	-0.1732	0.1122	-0.0367	-0.0052	-0.0051	-0.0187	-0.0422	0.033	-0.0052	16.334	73.283	15.451
63	1.1773	-0.2523	-0.0667	6.1566	4.5695	4.174	0.0469	-0.0771	-0.0572	0.6849	-0.3522	0.1817	0.6773	-0.3963	0.3053	0.0199	-0.0625	0.0296	-0.0427	0.0274	-0.0136	9.363	58.185	1.87
64	7.653	-5.3413	0.6852	5.8938	0.6595	1.9434	0.0947	-0.0937	-0.2709	0.0721	-0.0406	0.1945	0.4541	0.0977	-0.0542	0.0554	0.0221	0.0052	-0.0609	0.0388	-0.0193	17.37	51.444	-5.198
65	0.5238	0.97	0.4329	4.7454	4.1271	4.8925	0.0016	-0.0196	0.0074	0.0192	-0.0853	-0.0074	-0.0632	-0.1878	0.0837	-0.0086	0.0055	-0.0185	-0.044	0.0251	-0.0091	11.685	71.158	7.3
66	4.629	1.9103	0.2114	26.9584	-8.2638	2.7251	-0.0911	-0.0305	0.083	0.8422	0.3321	1.059	-0.1397	-0.3728	-0.241	-0.0318	0.0091	0.0317	-0.0132	0.0124	-0.0027	5.279	71.471	13.039

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	7 - 18
2	X-RAY DIFFRACTION	2	A	19 - 30
3	X-RAY DIFFRACTION	3	A	31 - 42
4	X-RAY DIFFRACTION	4	A	43 - 54
5	X-RAY DIFFRACTION	5	A	55 - 66
6	X-RAY DIFFRACTION	6	A	67 - 78
7	X-RAY DIFFRACTION	7	A	79 - 90
8	X-RAY DIFFRACTION	8	A	91 - 102
9	X-RAY DIFFRACTION	9	A	103 - 114
10	X-RAY DIFFRACTION	10	A	115 - 126
11	X-RAY DIFFRACTION	11	A	127 - 138
12	X-RAY DIFFRACTION	12	A	139 - 150
13	X-RAY DIFFRACTION	13	A	151 - 162
14	X-RAY DIFFRACTION	14	A	163 - 174
15	X-RAY DIFFRACTION	15	A	175 - 186
16	X-RAY DIFFRACTION	16	A	187 - 198
17	X-RAY DIFFRACTION	17	A	199 - 210
18	X-RAY DIFFRACTION	18	A	211 - 222
19	X-RAY DIFFRACTION	19	A	223 - 234
20	X-RAY DIFFRACTION	20	A	235 - 246
21	X-RAY DIFFRACTION	21	A	247 - 258
22	X-RAY DIFFRACTION	22	A	259 - 269
23	X-RAY DIFFRACTION	23	B	7 - 18
24	X-RAY DIFFRACTION	24	B	19 - 30
25	X-RAY DIFFRACTION	25	B	31 - 42
26	X-RAY DIFFRACTION	26	B	43 - 54
27	X-RAY DIFFRACTION	27	B	55 - 66
28	X-RAY DIFFRACTION	28	B	67 - 78
29	X-RAY DIFFRACTION	29	B	79 - 90
30	X-RAY DIFFRACTION	30	B	91 - 102
31	X-RAY DIFFRACTION	31	B	103 - 114
32	X-RAY DIFFRACTION	32	B	115 - 126
33	X-RAY DIFFRACTION	33	B	127 - 138
34	X-RAY DIFFRACTION	34	B	139 - 150
35	X-RAY DIFFRACTION	35	B	151 - 162
36	X-RAY DIFFRACTION	36	B	163 - 174
37	X-RAY DIFFRACTION	37	B	175 - 186
38	X-RAY DIFFRACTION	38	B	187 - 198
39	X-RAY DIFFRACTION	39	B	199 - 210
40	X-RAY DIFFRACTION	40	B	211 - 222
41	X-RAY DIFFRACTION	41	B	223 - 234
42	X-RAY DIFFRACTION	42	B	235 - 246
43	X-RAY DIFFRACTION	43	B	247 - 258
44	X-RAY DIFFRACTION	44	B	259 - 269
45	X-RAY DIFFRACTION	45	C	7 - 18
46	X-RAY DIFFRACTION	46	C	19 - 30
47	X-RAY DIFFRACTION	47	C	31 - 42
48	X-RAY DIFFRACTION	48	C	43 - 54
49	X-RAY DIFFRACTION	49	C	55 - 66
50	X-RAY DIFFRACTION	50	C	67 - 76
51	X-RAY DIFFRACTION	51	C	83 - 90
52	X-RAY DIFFRACTION	52	C	91 - 102
53	X-RAY DIFFRACTION	53	C	103 - 114
54	X-RAY DIFFRACTION	54	C	115 - 126
55	X-RAY DIFFRACTION	55	C	127 - 138
56	X-RAY DIFFRACTION	56	C	139 - 150
57	X-RAY DIFFRACTION	57	C	151 - 162
58	X-RAY DIFFRACTION	58	C	163 - 174
59	X-RAY DIFFRACTION	59	C	175 - 186
60	X-RAY DIFFRACTION	60	C	187 - 198
61	X-RAY DIFFRACTION	61	C	199 - 210
62	X-RAY DIFFRACTION	62	C	211 - 222
63	X-RAY DIFFRACTION	63	C	223 - 234
64	X-RAY DIFFRACTION	64	C	235 - 246
65	X-RAY DIFFRACTION	65	C	247 - 258
66	X-RAY DIFFRACTION	66	C	259 - 269

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