PDB-5cy4: Crystal structure of an oligoribonuclease from Acinetobacter baumannii

ID or keywords:

Entry

Database: PDB / ID: 5cy4

Title

Crystal structure of an oligoribonuclease from Acinetobacter baumannii

Components

Oligoribonuclease

Keywords

OXIDOREDUCTASE / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease / SSGCID

Function / homology

Function and homology information

DNA metabolic process / 3'-5'-RNA exonuclease activity / nucleic acid binding / Hydrolases; Acting on ester bonds / metal ion binding / cytoplasm
Similarity search - Function

Biological species

Acinetobacter baumannii (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.25 Å

Authors

Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Citation

Journal: To Be Published
Title: Crystal structure of an oligoribonuclease from Acinetobacter baumannii
Authors: Lukacs, C.M. / Fairman, J.W. / Lorimer, D.D. / Edwards, T.E.

History

Deposition	Jul 30, 2015	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Aug 19, 2015	Provider: repository / Type: Initial release
Revision 1.1	Sep 27, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description / Structure summary Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / pdbx_struct_oper_list / struct_conn / struct_keywords Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.ptnr3_symmetry / _pdbx_struct_conn_angle.value / _pdbx_struct_oper_list.symmetry_operation / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_symmetry / _struct_keywords.pdbx_keywords
Revision 1.2	Oct 23, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5cy4.cif.gz	471.1 KB	Display	PDBx/mmCIF format
PDB format	pdb5cy4.ent.gz	387.9 KB	Display	PDB format
PDBx/mmJSON format	5cy4.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	5cy4_validation.pdf.gz	478 KB	Display	wwPDB validaton report
Full document	5cy4_full_validation.pdf.gz	481.5 KB	Display
Data in XML	5cy4_validation.xml.gz	43.5 KB	Display
Data in CIF	5cy4_validation.cif.gz	61.7 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/cy/5cy4 ftp://data.pdbj.org/pub/pdb/validation_reports/cy/5cy4	HTTPS FTP

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Related structure data

Related structure data	3igiS S: Starting model for refinement
Similar structure data	6a4f-d 2jhu-d 6a4a-1 3gzb-4 1j9a-1 6a4d-d 4fwn-d 1x3m-d 3gzb-3 2f96-d Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search
Other databases	TargetTrack: SSGCID-AcbaC.18995.a

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: Oligoribonuclease

B: Oligoribonuclease

C: Oligoribonuclease

D: Oligoribonuclease

E: Oligoribonuclease

F: Oligoribonuclease

hetero molecules

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

1

A: Oligoribonuclease

B: Oligoribonuclease

hetero molecules

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

2

C: Oligoribonuclease

D: Oligoribonuclease

hetero molecules

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

3

E: Oligoribonuclease

F: Oligoribonuclease

hetero molecules

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

Unit cell

Length a, b, c (Å)	92.710, 102.880, 184.870
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

#1: Protein	Oligoribonuclease Mass: 23113.365 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Acinetobacter baumannii (bacteria) Gene: orn, ABUW_3367, BL01_16870, IOMTU433_3284, IX87_17160, LH92_02780, MRSN16875_02860, RQ24_13780, RQ85_08810, RU84_15800, VM83_02650, WH42_12930 Production host: Escherichia coli (E. coli) References: UniProt: V5VGJ9, Hydrolases; Acting on ester bonds
#2: Chemical	ChemComp-CA / CALCIUM ION Mass: 40.078 Da / Num. of mol.: 14 / Source method: obtained synthetically / Formula: Ca
#3: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₂H₆O₂
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 570 / Source method: isolated from a natural source / Formula: H₂O
Has protein modification	Y

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Experiment

Experiment	Method: X-RAY DIFFRACTION

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Sample preparation

Crystal	Density Matthews: 3.18 Å³/Da / Density % sol: 61.3 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, sitting drop Details: JCSG+e11: 14% PEG8000, 160mM Calcium acetate, 0.08M sodium cacodylate pH6.5, 20% glycerol PH range: 6.5

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-F / Wavelength: 0.97872 Å
Detector	Type: RAYONIX MX225HE / Detector: CCD / Date: Jul 7, 2015
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97872 Å / Relative weight: 1
Reflection	Resolution: 2.25→48 Å / Num. obs: 82841 / % possible obs: 98 % / Redundancy: 5 % / R_sym value: 0.07 / Net I/σ(I): 16.3
Reflection shell	Resolution: 2.25→2.31 Å / Redundancy: 5 % / R_merge(I) obs: 0.562 / Mean I/σ(I) obs: 3.2 / % possible all: 99.3

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Processing

Software

Name	Version	Classification
PHENIX	(1.10pre_2090: ???)	refinement
XDS		data reduction
XSCALE		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 3igi

3igi

Resolution: 2.25→39.49 Å / SU ML: 0.23 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 19.74 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2016	4041	4.88 %
R_work	0.1685	-	-
obs	0.1701	82828	97.99 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 2.25→39.49 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	8804	0	26	570	9400

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.004	9037
X-RAY DIFFRACTION	f_angle_d	0.771	12240
X-RAY DIFFRACTION	f_dihedral_angle_d	14.19	5510
X-RAY DIFFRACTION	f_chiral_restr	0.037	1377
X-RAY DIFFRACTION	f_plane_restr	0.003	1573

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 (%)
2.25-2.2765	0.2586	143	0.2246	2697	X-RAY DIFFRACTION	99
2.2765-2.3042	0.244	149	0.2123	2730	X-RAY DIFFRACTION	100
2.3042-2.3334	0.2679	129	0.2125	2703	X-RAY DIFFRACTION	99
2.3334-2.3641	0.2655	136	0.2129	2713	X-RAY DIFFRACTION	100
2.3641-2.3965	0.2618	146	0.2101	2715	X-RAY DIFFRACTION	99
2.3965-2.4307	0.2642	127	0.2018	2764	X-RAY DIFFRACTION	99
2.4307-2.467	0.2545	133	0.2036	2723	X-RAY DIFFRACTION	99
2.467-2.5055	0.2289	129	0.2006	2691	X-RAY DIFFRACTION	99
2.5055-2.5466	0.2066	140	0.1901	2715	X-RAY DIFFRACTION	100
2.5466-2.5905	0.2161	154	0.185	2698	X-RAY DIFFRACTION	99
2.5905-2.6376	0.2329	134	0.1881	2729	X-RAY DIFFRACTION	99
2.6376-2.6883	0.2094	150	0.1888	2715	X-RAY DIFFRACTION	99
2.6883-2.7432	0.2094	118	0.1786	2708	X-RAY DIFFRACTION	99
2.7432-2.8028	0.2248	151	0.1788	2719	X-RAY DIFFRACTION	99
2.8028-2.868	0.2437	134	0.1799	2724	X-RAY DIFFRACTION	99
2.868-2.9397	0.2005	133	0.1762	2721	X-RAY DIFFRACTION	98
2.9397-3.0191	0.2213	131	0.1773	2723	X-RAY DIFFRACTION	98
3.0191-3.1079	0.2385	152	0.1891	2683	X-RAY DIFFRACTION	98
3.1079-3.2082	0.2292	132	0.1897	2748	X-RAY DIFFRACTION	98
3.2082-3.3228	0.2406	159	0.1849	2665	X-RAY DIFFRACTION	98
3.3228-3.4558	0.21	154	0.1847	2697	X-RAY DIFFRACTION	98
3.4558-3.613	0.2207	133	0.1675	2706	X-RAY DIFFRACTION	97
3.613-3.8033	0.1845	129	0.1544	2731	X-RAY DIFFRACTION	97
3.8033-4.0414	0.1588	129	0.1412	2696	X-RAY DIFFRACTION	96
4.0414-4.353	0.1667	128	0.1291	2735	X-RAY DIFFRACTION	97
4.353-4.7904	0.1556	141	0.1234	2716	X-RAY DIFFRACTION	96
4.7904-5.482	0.1708	135	0.1313	2725	X-RAY DIFFRACTION	96
5.482-6.9008	0.1838	147	0.1774	2740	X-RAY DIFFRACTION	96
6.9008-39.4959	0.1645	165	0.1668	2757	X-RAY DIFFRACTION	93

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	3.0083	-0.7426	-0.4496	2.2693	-0.5829	4.4444	0.1699	-0.3402	0.6901	0.2113	-0.1698	-0.1097	-0.1137	0.3069	0.0299	0.2632	-0.0455	-0.0082	0.2525	-0.0172	0.2915	18.0686	-2.0268	-34.2355
2	1.754	0.283	-0.7523	1.999	-0.1215	2.7273	-0.0269	-0.0245	-0.1783	-0.107	0.017	-0.1444	0.138	-0.0652	0.0215	0.2157	-0.0103	-0.0091	0.2185	0.0151	0.175	9.5653	-7.1003	-40.9257
3	4.4388	-1.4587	-0.4218	4.0033	0.312	1.9372	-0.1314	-0.2989	0.1545	-0.0008	0.2516	0.0555	-0.0579	-0.0344	-0.1488	0.2575	-0.0446	-0.0649	0.3036	0.0082	0.2796	-6.6407	-12.1135	-46.8397
4	5.7672	-2.5166	-0.937	4.8516	1.0989	2.9244	-0.04	1.0021	0.0091	-0.945	0.0133	0.4485	-0.0165	-0.0335	0.0663	0.5042	-0.1539	-0.0679	0.4427	0.0422	0.2896	2.9677	-8.9395	-53.7688
5	2.4874	0.6018	0.7337	3.6751	1.1545	3.3915	-0.1019	0.2078	-0.0928	-0.1397	0.0746	-0.4645	0.1137	0.5344	-0.0323	0.1925	-0.0044	0.0369	0.249	0.0356	0.2957	19.1098	-8.092	-39.8752
6	4.7824	1.0861	0.005	5.3614	0.9656	3.9681	0.0755	-0.0752	-0.0201	0.256	-0.0592	-0.3553	0.3547	0.0141	-0.0151	0.2349	0.0022	-0.0152	0.1939	0.0328	0.1965	13.5439	-14.8331	-34.4122
7	4.3069	0.0773	-2.7107	2.7533	-0.5164	6.5226	0.0091	0.0247	0.0179	-0.0737	-0.0256	0.2895	-0.4478	-0.5328	0.0783	0.2823	0.0077	-0.0106	0.2726	-0.0372	0.2446	3.4013	-2.2054	-21.4859
8	2.734	-1.9104	-1.6585	1.3848	1.1662	0.9914	-0.1985	0.0389	0.1604	-0.2001	-0.2608	0.3742	-1.0834	-1.0479	0.431	0.492	0.137	-0.0602	0.3764	-0.0429	0.5016	-1.5498	6.1904	-27.4544
9	2.0025	-1.1574	-2.5532	1.8231	-0.8841	8.6711	0.0122	-0.0493	0.2055	0.266	-0.1279	-0.0433	-0.6735	-0.1406	0.0555	0.2708	-0.0431	0.0015	0.2211	-0.0251	0.3528	7.914	5.8375	-28.308
10	3.993	-0.031	0.5028	3.2137	-1.1155	2.4683	-0.0431	-0.7329	0.3929	0.1385	0.2213	0.2694	0.0384	-0.1543	-0.1962	0.272	0.0041	0.0422	0.3958	-0.0205	0.2217	-0.8712	-13.9188	-13.1665
11	1.9806	0.2372	-0.6913	2.6509	0.3286	2.4277	-0.0518	-0.0551	-0.177	0.0915	-0.0491	-0.0094	0.2394	-0.221	0.0685	0.312	0.0232	0.0082	0.3143	0.0512	0.2158	5.6895	-22.1679	-14.3272
12	6.0673	1.2118	1.3118	1.9009	-0.416	3.7657	0.0616	-0.3553	-0.4492	0.4925	0.0584	-0.7921	0.1832	0.2313	-0.1675	0.4803	0.1543	-0.0351	0.3255	-0.0253	0.4505	20.4233	-31.9071	-16.6661
13	4.2483	4.8665	3.7117	6.5022	2.5609	6.2268	0.6992	-0.9648	-0.874	1.2718	-0.2875	-0.4467	1.5007	0.3584	-0.3847	0.7044	0.1047	0.0222	0.4754	0.0759	0.3384	10.9959	-34.8943	-9.8341
14	1.523	-0.9335	-0.0909	2.7318	0.5676	1.7063	-0.1364	-0.332	-0.2067	0.107	0.0679	0.3172	0.2526	-0.3687	0.0594	0.2612	-0.0428	0.0539	0.4566	0.0287	0.2408	-3.761	-20.52	-15.067
15	4.362	-1.2236	-1.3296	3.2385	0.903	5.2035	-0.0239	0.1574	0.1117	-0.3435	-0.0427	0.0324	0.0501	-0.4742	0.0576	0.2627	-0.0257	-0.011	0.297	-0.0021	0.1586	1.3883	-19.8342	-23.9924
16	3.4595	2.0438	-1.2967	3.3386	-1.3494	2.4321	0.1553	-0.3544	0.1449	0.3887	-0.2852	-0.105	-0.0779	0.1814	0.0924	0.2929	-0.0203	-0.0259	0.2692	-0.0495	0.2093	13.8161	-3.5753	-20.4999
17	0.0325	0.2036	-0.0377	4.6503	1.7918	1.529	-0.0444	-0.3739	-0.181	0.9123	-0.0699	-0.6421	0.1443	0.3281	0.0539	0.5582	-0.0583	-0.22	0.6192	-0.0402	0.4829	19.4671	-3.9789	-11.7999
18	3.2043	1.1473	-0.9864	6.8204	-2.8145	3.7126	-0.146	-0.5055	0.1304	0.94	0.1021	-0.6286	-0.5357	0.1568	0.0219	0.391	-0.0036	-0.0261	0.4416	-0.1235	0.2331	9.8346	-4.8112	-9.7503
19	1.5772	-0.3459	1.6823	4.3158	-0.8137	2.7402	-0.2405	0.6522	-0.3761	-0.1418	-0.0007	-0.5678	0.3825	0.0599	0.2428	0.2174	0.0678	0.0338	0.223	0.0109	0.296	-11.9735	-33.8361	-48.9055
20	1.8294	0.2032	-0.4164	3.3096	-0.5751	2.4344	0.0477	-0.2184	-0.026	0.413	0.0779	0.1769	0.0142	-0.2101	-0.1112	0.248	0.0627	0.0218	0.2686	0.0532	0.2493	-19.6382	-37.3902	-39.1588
21	3.9671	-0.1291	-0.5777	2.2399	-0.0038	1.963	-0.0628	-0.527	-0.2223	0.4487	0.3513	0.7787	0.2825	-0.7534	-0.2687	0.6116	-0.0238	0.1272	0.6222	0.25	0.5467	-29.921	-43.6399	-29.3344
22	2.7559	0.6778	-2.8715	2.9128	-0.8462	4.5631	-0.0847	-0.2821	-0.2186	0.4223	-0.141	-0.4607	0.0637	0.624	0.2628	0.2389	0.0251	-0.0562	0.2815	0.0243	0.3616	-10.3529	-35.0483	-39.8896
23	1.3632	-0.7387	1.1584	4.391	-1.1261	4.1108	-0.1603	-0.1594	0.0586	0.4209	0.0725	0.1254	-0.1985	-0.0828	0.0605	0.1889	0.0076	0.0239	0.1789	0.0099	0.232	-20.7056	-26.3029	-42.7353
24	2.2874	0.0749	2.5374	0.0098	0.0949	2.8184	0.067	-0.324	-0.4128	-0.795	0.3063	1.0988	1.0121	-0.8439	-0.4172	0.4851	-0.0662	-0.0727	0.4109	-0.026	0.6599	-33.0521	-35.1229	-55.6396
25	2.8242	-1.1975	1.7871	6.1755	-1.68	3.2691	0.1828	0.146	-0.1956	-0.7118	0.052	0.5217	0.1926	0.0261	-0.1797	0.3047	0.0163	-0.0355	0.2267	-0.0519	0.3234	-23.1497	-33.8815	-57.0466
26	2.9354	0.0604	-0.7626	4.0919	-0.5514	1.3063	-0.0664	0.3243	-0.1166	0.0048	0.1533	0.9376	-0.0597	-0.2699	-0.0759	0.197	0.0387	0.0343	0.2005	0.0052	0.5071	-34.9408	-12.0773	-49.9511
27	2.3146	-0.7202	0.3609	3.4179	-0.394	2.5973	0.0029	-0.2407	0.0193	0.6351	0.1526	0.376	-0.2138	0.1016	-0.1084	0.3318	0.0297	0.0653	0.2005	-0.0159	0.3245	-26.8231	-7.4803	-40.9006
28	5.5182	0.7732	0.0283	3.8137	0.2246	2.9393	-0.1109	-0.4987	0.3938	0.4836	0.2149	-0.3348	-0.6888	0.5344	-0.0304	0.6666	-0.0324	-0.0421	0.4092	-0.1157	0.3694	-15.8987	-0.3387	-32.1218
29	0.8973	-0.4221	-0.3417	3.2126	0.1771	2.0824	-0.1025	-0.155	0.0368	0.4849	0.1378	0.6873	-0.0376	-0.1884	-0.0236	0.244	0.032	0.0754	0.2196	0.048	0.4174	-29.7529	-15.2166	-42.3573
30	1.119	-1.695	-2.5815	2.9478	3.6955	6.0404	0.0706	-0.1521	0.3578	-0.8736	0.3945	-0.7558	-0.9697	0.6751	-0.3968	0.4555	-0.0789	0.0635	0.3643	0.0411	0.4479	-13.3323	-11.5938	-57.0071
31	2.3647	-1.0537	-2.017	5.726	1.1546	3.4577	0.1075	0.1462	0.0941	-0.7172	-0.01	0.1383	-0.2485	0.09	-0.0575	0.2606	0.0165	-0.0552	0.2228	0.0494	0.2792	-23.4702	-12.8432	-58.112
32	4.1788	-1.1497	0.5205	2.2564	-0.1247	4.452	-0.0031	-0.3228	-0.6637	0.0737	-0.0514	0.0472	0.0183	-0.3133	0.0867	0.2602	-0.0276	-0.1094	0.2159	-0.0203	0.3435	28.7118	-45.4929	-30.4415
33	2.8654	0.0091	0.3544	1.211	0.1448	1.9516	-0.2317	0.2512	0.3562	-0.0592	-0.0139	-0.0761	-0.4286	0.277	0.1752	0.3117	-0.0967	-0.1304	0.253	0.0596	0.3427	36.6823	-38.8792	-37.6445
34	2.6083	-0.6448	0.2147	2.9699	0.8364	3.5262	-0.4906	0.6105	0.839	-0.4888	0.2178	-1.078	-0.6161	0.8238	0.3377	0.4868	-0.2311	-0.0392	0.6976	0.2208	0.7753	52.3396	-32.3024	-43.9448
35	4.5659	-2.5854	1.6647	2.6795	0.3164	2.2549	-0.1998	1.4971	0.5705	-1.0764	0.1461	-0.1277	-0.0829	0.508	0.0412	0.5739	-0.2381	-0.0967	0.6972	0.2096	0.4163	41.8296	-35.715	-50.2342
36	2.5642	0.3816	-0.3079	3.4955	-0.567	3.003	-0.2235	0.3809	0.2685	-0.2242	0.0983	0.448	-0.3378	-0.3252	0.1773	0.2643	-0.0115	-0.1283	0.2692	-0.0021	0.3551	27.2725	-38.4639	-35.4914
37	4.4714	0.9137	0.7024	3.721	0.1254	4.1623	-0.3329	-0.2538	0.6125	-0.1327	0.0768	0.3465	-0.7634	-0.0245	0.2566	0.3427	0.0083	-0.1195	0.2187	-0.022	0.3962	33.1584	-32.3016	-29.7888
38	2.3254	0.4623	1.9621	1.6343	-0.3589	4.0995	-0.1038	0.0941	-0.0038	0.2324	-0.0238	-0.0813	0.0267	0.419	0.132	0.2264	0.0193	-0.0338	0.249	0.0429	0.2756	44.4702	-46.3533	-19.121
39	2.5941	-1.3043	2.4726	2.7491	-0.7646	7.2845	0.1183	-0.0065	-0.4234	0.1041	0.0402	-0.0959	0.7566	0.4223	-0.0719	0.2823	-0.0052	-0.0277	0.2405	0.0219	0.4298	42.1146	-53.7907	-26.0781
40	3.4141	0.1764	1.2042	3.2031	-0.1334	3.9239	-0.3277	-0.5808	0.5941	0.1729	0.0738	0.0135	-0.8881	0.1837	0.1941	0.4664	-0.039	-0.1151	0.4546	-0.1164	0.3128	44.6756	-26.7228	-11.4194
41	3.2767	3.2567	2.3249	5.2664	1.4813	4.3587	0.0769	-1.0293	-0.0086	0.5937	-0.3362	0.3563	0.3487	-0.3762	0.2554	0.2961	-0.0111	0.0465	0.5398	0.0575	0.2577	35.3956	-44.7228	-9.7721

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 0 through 16 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 17 through 52 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 53 through 69 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 70 through 82 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 83 through 109 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 110 through 131 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 132 through 145 )
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 146 through 160 )
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 161 through 183 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 2 through 16 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 17 through 52 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 53 through 69 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 70 through 82 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 83 through 109 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 110 through 131 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 132 through 145 )
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 146 through 160 )
18	X-RAY DIFFRACTION	18	chain 'B' and (resid 161 through 183 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 0 through 16 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 17 through 52 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 53 through 82 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 83 through 109 )
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 110 through 145 )
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 146 through 160 )
25	X-RAY DIFFRACTION	25	chain 'C' and (resid 161 through 184 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 0 through 16 )
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 17 through 52 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 53 through 82 )
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 83 through 145 )
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 146 through 160 )
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 161 through 183 )
32	X-RAY DIFFRACTION	32	chain 'E' and (resid 0 through 16 )
33	X-RAY DIFFRACTION	33	chain 'E' and (resid 17 through 52 )
34	X-RAY DIFFRACTION	34	chain 'E' and (resid 53 through 69 )
35	X-RAY DIFFRACTION	35	chain 'E' and (resid 70 through 82 )
36	X-RAY DIFFRACTION	36	chain 'E' and (resid 83 through 109 )
37	X-RAY DIFFRACTION	37	chain 'E' and (resid 110 through 131 )
38	X-RAY DIFFRACTION	38	chain 'E' and (resid 132 through 145 )
39	X-RAY DIFFRACTION	39	chain 'E' and (resid 146 through 183 )
40	X-RAY DIFFRACTION	40	chain 'F' and (resid 2 through 131 )
41	X-RAY DIFFRACTION	41	chain 'F' and (resid 132 through 183 )

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