PDB-5fj1: Structure of the standard kink turn HmKt-7 as stem loop in P21212...

ID or keywords:

Entry

Database: PDB / ID: 5fj1

Title

Structure of the standard kink turn HmKt-7 as stem loop in P212121 space group

Components

HMKT-7

Keywords

RNA / KINK TURN /

RNA MOTIF

Function / homology

RNA / RNA (> 10)

Function and homology information

Biological species

HALOARCULA MARISMORTUI (Halophile)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.75 Å

Authors

Huang, L. / Lilley, D.M.J.

Citation

Journal: Nucleic Acids Res. / Year: 2016
Title: A Critical Base Pair in K-Turns Determines the Conformational Class Adopted, and Correlates with Biological Function.
Authors: Huang, L. / Wang, J. / Lilley, D.M.J.

History

Deposition	Oct 5, 2015	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	May 25, 2016	Provider: repository / Type: Initial release
Revision 1.1	Jul 6, 2016	Group: Database references
Revision 1.2	Jan 10, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _struct_conn.pdbx_dist_value / _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_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_label_seq_id / _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

PDBx/mmCIF format	5fj1.cif.gz	219.4 KB	Display	PDBx/mmCIF format
PDB format	pdb5fj1.ent.gz	181.7 KB	Display	PDB format
PDBx/mmJSON format	5fj1.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/fj/5fj1 ftp://data.pdbj.org/pub/pdb/validation_reports/fj/5fj1	HTTPS FTP

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Related structure data

Related structure data	5fj0C 5fj4C 5fjcC 5fk1C 5fk2C 5fk3C 5fk4C 5fk5C 5fk6C 5fkdC 5fkeC 5fkfC 5fkgC 5fkhC 4bw0S C: citing same article (ref.) S: Starting model for refinement
Similar structure data	2xv7-1 1un6-1 2fk3-22 4uct-d 2h8o-1 4c5j-1 3rpn-2 6us8-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 - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#121 - Jan 2010 70S Ribosomes similarity (1) #130 - Oct 2010 Riboswitches similarity (1) #16 - Apr 2001 Aminoacyl-tRNA Synthetases similarity (1) #157 - Jan 2013 Transfer-Messenger RNA similarity (1) #229 - Jan 2019 Fluorescent RNA Aptamers similarity (1) #253 - Jan 2021 Expressome similarity (1) #181 - Jan 2015 Cascade and CRISPR similarity (1) #260 - Aug 2021 Ribonuclease P similarity (1) #249 - Sep 2020 SARS-CoV-2 RNA-dependent RNA Polymerase similarity (1) #15 - Mar 2001 Transfer RNA similarity (1) #146 - Feb 2012 Aminoglycoside Antibiotics similarity (1) #210 - Jun 2017 Adenine Riboswitch in Action similarity (1) #87 - Mar 2007 Zinc Fingers similarity (1) #10 - Oct 2000 Ribosome similarity (1) #245 - May 2020 Spliceosomes similarity (1) #262 - Oct 2021 Fifty Years of Open Access to PDB Structures similarity (1) #65 - May 2005 Self-splicing RNA similarity (1) #98 - Feb 2008 Small Interfering RNA similarity (1) #226 - Oct 2018 Aminoglycoside Antibiotics and Resistance similarity (1) #105 - Sep 2008 Ribonuclease A similarity (1) #230 - Feb 2019 Initiation Factor eIF4E similarity (1) #104 - Aug 2008 Selenocysteine Synthase similarity (1) #161 - May 2013 Ricin similarity (1) #143 - Nov 2011 Toll-like Receptors similarity (1) #266 - Feb 2022 Oligosaccharyltransferase similarity (1) #106 - Oct 2008 Poly(A) Polymerase similarity (1) #81 - Sep 2006 Elongation Factors similarity (1) #89 - May 2007 Aconitase and Iron Regulatory Protein 1 similarity (1) #227 - Nov 2018 Telomerase similarity (1) #241 - Jan 2020 Twenty Years of Molecules similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#121 - Jan 2010
70S Ribosomes
similarity (1)
#130 - Oct 2010
Riboswitches
similarity (1)
#16 - Apr 2001
Aminoacyl-tRNA Synthetases
similarity (1)
#157 - Jan 2013
Transfer-Messenger RNA
similarity (1)
#229 - Jan 2019
Fluorescent RNA Aptamers
similarity (1)
#253 - Jan 2021
Expressome
similarity (1)
#181 - Jan 2015
Cascade and CRISPR
similarity (1)
#260 - Aug 2021
Ribonuclease P
similarity (1)
#249 - Sep 2020
SARS-CoV-2 RNA-dependent RNA Polymerase
similarity (1)
#15 - Mar 2001
Transfer RNA
similarity (1)
#146 - Feb 2012
Aminoglycoside Antibiotics
similarity (1)
#210 - Jun 2017
Adenine Riboswitch in Action
similarity (1)
#87 - Mar 2007
Zinc Fingers
similarity (1)
#10 - Oct 2000
Ribosome
similarity (1)
#245 - May 2020
Spliceosomes
similarity (1)
#262 - Oct 2021
Fifty Years of Open Access to PDB Structures
similarity (1)
#65 - May 2005
Self-splicing RNA
similarity (1)
#98 - Feb 2008
Small Interfering RNA
similarity (1)
#226 - Oct 2018
Aminoglycoside Antibiotics and Resistance
similarity (1)
#105 - Sep 2008
Ribonuclease A
similarity (1)
#230 - Feb 2019
Initiation Factor eIF4E
similarity (1)
#104 - Aug 2008
Selenocysteine Synthase
similarity (1)
#161 - May 2013
Ricin
similarity (1)
#143 - Nov 2011
Toll-like Receptors
similarity (1)
#266 - Feb 2022
Oligosaccharyltransferase
similarity (1)
#106 - Oct 2008
Poly(A) Polymerase
similarity (1)
#81 - Sep 2006
Elongation Factors
similarity (1)
#89 - May 2007
Aconitase and Iron Regulatory Protein 1
similarity (1)
#227 - Nov 2018
Telomerase
similarity (1)
#241 - Jan 2020
Twenty Years of Molecules
similarity (1)

Deposited unit

A: HMKT-7

B: HMKT-7

C: HMKT-7

D: HMKT-7

E: HMKT-7

F: HMKT-7

G: HMKT-7

H: HMKT-7

hetero molecules

63.6 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: HMKT-7

B: HMKT-7

C: HMKT-7

E: HMKT-7

hetero molecules

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

2

D: HMKT-7

F: HMKT-7

G: HMKT-7

H: HMKT-7

hetero molecules

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

Unit cell

Length a, b, c (Å)	84.052, 84.360, 174.499
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

#1: RNA chain	HMKT-7 Mass: 7872.823 Da / Num. of mol.: 8 / Fragment: KINK TURN MOTIF, RESIDUES 1-24 / Source method: obtained synthetically / Source: (synth.) HALOARCULA MARISMORTUI (Halophile)
#2: Chemical	... ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 21 / Source method: obtained synthetically / Formula: Mg
#3: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Na
#4: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 16 / 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: 4.67 Å³/Da / Density % sol: 73.68 % / Description: NONE
Crystal grow	pH: 7 / Details: 60% V/V TACSIMATE PH 7.0

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Data collection

Diffraction	Mean temperature: 173 K
Diffraction source	Source: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.976
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Aug 4, 2013 / Details: MIRRORS
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.976 Å / Relative weight: 1
Reflection	Resolution: 2.75→38.72 Å / Num. obs: 32761 / % possible obs: 99.2 % / Observed criterion σ(I): 1.9 / Redundancy: 4.4 % / B_iso Wilson estimate: 79.18 Å² / R_merge(I) obs: 0.06 / Net I/σ(I): 12.4
Reflection shell	Resolution: 2.75→2.9 Å / Redundancy: 4.3 % / R_merge(I) obs: 0.69 / Mean I/σ(I) obs: 1.9 / % possible all: 98.5

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Processing

Software

Name	Version	Classification
PHENIX	(PHENIX.REFINE)	refinement
iMOSFLM		data reduction
Aimless		data scaling
MOLREP		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 4BW0

4bw0

Resolution: 2.75→38.72 Å / SU ML: 0.46 / σ(F): 1.34 / Phase error: 22.3 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.183	1626	5 %
R_work	0.1668	-	-
obs	0.1677	32687	98.99 %

Solvent computation

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

Displacement parameters

B_iso mean: 77.56 Å²

Refinement step

Cycle: LAST / Resolution: 2.75→38.72 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	0	4184	24	16	4224

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.002	4704
X-RAY DIFFRACTION	f_angle_d	0.575	7344
X-RAY DIFFRACTION	f_dihedral_angle_d	11.881	2272
X-RAY DIFFRACTION	f_chiral_restr	0.03	952
X-RAY DIFFRACTION	f_plane_restr	0.005	192

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 (%)
2.75-2.8309	0.4378	128	0.4205	2524	X-RAY DIFFRACTION	98
2.8309-2.9223	0.3911	133	0.3532	2581	X-RAY DIFFRACTION	99
2.9223-3.0267	0.3894	130	0.3087	2538	X-RAY DIFFRACTION	99
3.0267-3.1478	0.2653	135	0.269	2517	X-RAY DIFFRACTION	99
3.1478-3.291	0.2699	122	0.2228	2568	X-RAY DIFFRACTION	99
3.291-3.4644	0.2052	114	0.2024	2582	X-RAY DIFFRACTION	99
3.4644-3.6813	0.1533	166	0.1462	2536	X-RAY DIFFRACTION	99
3.6813-3.9653	0.1598	147	0.1304	2592	X-RAY DIFFRACTION	100
3.9653-4.3638	0.1654	164	0.1289	2580	X-RAY DIFFRACTION	100
4.3638-4.9941	0.1681	131	0.1314	2627	X-RAY DIFFRACTION	99
4.9941-6.2877	0.1381	136	0.1213	2654	X-RAY DIFFRACTION	99
6.2877-38.7239	0.1436	120	0.1573	2762	X-RAY DIFFRACTION	98

Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

ID	L11 (°²)	L12 (°²)	L13 (°²)	L22 (°²)	L23 (°²)	L33 (°²)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å²)	T12 (Å²)	T13 (Å²)	T22 (Å²)	T23 (Å²)	T33 (Å²)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	0.9546	0.4101	0.206	0.0559	0.0105	0.0962	0.0792	-0.0957	0.4333	0.1529	-0.252	-0.2838	-0.4062	0.1453	-0.0002	0.5641	0.0372	0.0096	0.5796	0.0441	0.5895	-4.5001	-11.0224	20.6486
2	0.5305	0.0373	-0.0306	0.2245	0.1535	0.0837	0.0957	1.2962	0.2151	-0.1693	-0.3381	-0.7406	0.4592	-1.2989	-0.0021	0.6746	0.17	0.0895	0.9959	0.088	0.6755	4.8964	-11.7533	0.0625
3	0.2477	-0.2434	-0.1178	0.1983	0.0617	0.1218	0.6492	1.2279	0.3708	-0.4772	-0.3419	-0.2456	0.4426	0.3378	-0.0007	0.6834	0.202	0.0148	1.0705	0.0983	0.6102	-2.9794	-13.8798	-1.7998
4	0.5706	-0.0707	0.3491	0.2554	-0.2355	0.3287	0.7178	0.4186	-0.4786	-0.701	-0.2098	-0.8412	-0.1434	-0.7094	0.0016	0.5899	0.0666	-0.0378	0.6053	0.1558	0.5505	-10.8773	-13.4328	13.0659
5	0.194	-0.0835	-0.1135	0.0203	0.0676	0.0458	0.2865	0.1838	-0.0425	-0.0234	-0.0782	-0.1143	-0.4798	0.5674	-0.0023	0.5173	-0.0384	-0.0629	0.6371	0.0937	0.5523	1.9531	-11.7016	18.001
6	0.0957	-0.1145	0.0207	0.2626	-0.1329	0.0637	-0.237	-0.4798	-0.2703	-0.3337	-0.2767	0.6532	0.7603	0.6085	-0.0029	0.5504	-0.023	-0.0076	0.629	-0.0106	0.5281	2.7605	-24.7613	26.0641
7	0.9832	-0.0571	-0.0434	0.8863	0.5896	0.3211	0.331	0.6863	-0.3477	0.1048	-0.3505	0.1485	0.8825	0.0619	-0.0011	0.598	0.1512	-0.0418	0.7242	-0.0222	0.6274	-1.2994	-32.3005	11.071
8	0.1985	0.2036	-0.1848	0.2741	-0.1873	0.1347	0.331	2.7485	-0.544	-0.3105	-0.0711	0.6203	0.2612	0.6751	-0	0.6493	0.1491	-0.0574	1.2948	-0.1277	0.664	-4.3986	-30.7032	-4.7142
9	0.3181	-0.0478	-0.1666	0.5429	0.4459	0.4069	0.2355	0.365	-0.1444	-0.1891	0.4961	0.0776	0.0319	0.4914	0.0003	0.6086	0.1134	0.0105	0.6898	0.0072	0.5786	6.8594	-27.0009	8.7938
10	0.2356	0.1537	0.3236	0.4099	0.4368	0.561	-0.3292	0.0796	0.0146	0.1448	0.1021	-0.0884	0.8673	-0.0032	0.0009	0.5614	-0.0209	0.0714	0.582	-0.0935	0.616	-1.3191	-28.3009	18.8185
11	1.0195	0.3449	0.1088	0.5097	0.7471	1.151	-0.3486	1.3252	-1.0663	0.8312	1.7427	-0.6632	0.4056	0.9414	0.0445	0.808	-0.0704	0.2236	0.6995	0.0354	1.1718	16.3274	-47.2998	6.274
12	0.7647	0.0192	0.1357	0.3667	0.6005	0.9038	-0.0077	-0.7242	0.0624	0.3158	-0.0121	-0.258	0.6413	0.6526	-0.0011	0.6158	0.1247	0.1075	0.8185	0.1651	0.8217	19.363	-33.4409	12.9805
13	0.3006	-0.094	0.1349	0.0942	-0.0381	0.3769	0.2271	-0.5038	0.771	0.6831	-0.5151	0.3937	-0.1971	1.0857	-0.0029	0.6885	-0.079	0.1013	0.8196	-0.0031	0.9155	26.0174	-16.932	9.3674
14	1.1321	-0.6281	-0.075	0.4055	0.0749	0.0706	0.3793	-0.3422	0.4567	-0.1141	-0.4012	-0.0444	-0.0041	0.6521	0.0001	0.6156	0.0205	0.0952	0.6581	0.0334	0.7434	15.2293	-25.7949	7.6978
15	0.3457	0.3515	-0.4435	1.3707	0.5091	1.2198	-0.243	0.1313	-0.6281	0.3073	-0.1351	-0.2934	0.2878	0.2583	0.0003	0.5892	0.1876	0.0314	0.639	-0.0346	0.8157	18.011	-38.8735	8.2216
16	0.2968	-0.1972	0.1124	0.3065	-0.2255	0.4887	0.2006	0.685	0.7576	2.5713	-0.1615	-1.0001	0.7405	1.1745	-0.0326	1.3282	-0.0877	-0.418	1.3034	-0.2864	1.2314	24.2224	-1.2928	55.1871
17	0.0964	0.1748	-0.1261	0.2369	-0.0798	0.4293	-0.3361	0.2749	0.6317	-0.629	0.5973	-0.4098	0.2053	1.3382	0.0014	0.755	0.0294	-0.1084	0.926	-0.2612	1.0209	17.4935	-4.1091	41.4041
18	0.1355	-0.0241	-0.1317	0.3563	-0.0039	0.1702	-0.4351	0.5798	-0.3411	0.33	0.2886	-0.045	-0.2287	0.3148	-0.0006	0.7551	0.0229	-0.1251	0.5497	0.0178	0.6001	2.4507	-10.4825	33.9526
19	0.3496	-0.7183	0.4166	1.9196	-0.5198	0.2633	-0.081	-0.2125	-0.3873	0.1049	0.5444	0.0503	-0.1482	0.5145	0.0003	0.7253	-0.0124	-0.1157	0.7408	-0.1645	0.6333	10.5018	2.0452	43.2314
20	0.0971	0.1251	0.0638	0.3078	0.0449	0.0458	0.3684	-0.1685	-0.4159	0.7349	0.3741	-0.6031	0.6022	1.8027	0.0002	1.0136	0.2432	-0.3179	0.9944	-0.2558	0.9715	20.4457	-7.7857	48.06
21	0.2493	-0.3677	0.4875	0.6402	-0.7589	0.9185	-0.6481	0.5638	0.3253	0.3522	1.0808	-0.7412	-1.5739	-0.087	-0.0014	0.919	-0.2014	-0.1814	0.7344	-0.0291	1.079	-18.0196	5.5333	3.3962
22	0.6146	0.0355	-0.0197	0.2593	-0.4528	0.6403	0.0657	-0.714	-0.1692	0.7029	-0.1515	0.1185	-0.7271	-0.7234	-0.0004	0.6623	0.125	-0.0881	0.7839	-0.0799	0.788	-21.1189	-7.3043	11.6169
23	0.3804	-0.0206	0.1936	0.1821	0.1986	0.3049	0.3916	-0.519	-0.128	0.7119	-0.6316	-0.3673	0.249	-1.1227	-0.0016	0.7117	-0.2008	-0.1013	0.9862	0.167	0.8281	-27.9165	-24.0434	9.8743
24	2.2114	-1.595	0.6425	1.2217	-0.1029	0.7552	0.6798	0.025	-0.7056	-0.1692	-0.7321	-0.0998	-0.0448	-0.3966	0	0.6335	0.006	-0.1144	0.611	0.1075	0.6137	-15.5086	-14.0193	6.3572
25	-0.0091	-0.0446	-0.0137	0.2427	-0.1981	0.6279	0.2368	0.1186	0.7372	0.178	-0.248	0.0712	-1.0042	-0.2354	0.0002	0.6795	0.1734	0.0341	0.7109	0.1032	0.8473	-22.2823	-1.6116	7.0428
26	0.1795	0.0025	0.016	0.0047	-0.0037	-0.0073	0.706	0.4492	-0.3011	-1.86	-0.5227	-0.7782	-0.2769	0.6326	0.0058	1.2127	0.0179	0.4077	1.1972	-0.2919	1.0313	21.1659	11.8872	28.2015
27	0.0011	-0.0266	0.0168	0.2366	0.0207	0.0189	-0.6009	1.2624	-1.4547	0.9956	-0.0782	0.1835	0.0447	0.1627	-0.0076	0.8253	-0.1548	0.2988	0.8284	-0.2066	0.9199	15.9369	16.6372	42.3765
28	0.2287	0.1522	0.0079	0.2566	-0.1451	0.1783	-0.2374	0.4822	-0.0855	-0.8521	-0.1947	0.4843	0.4873	-0.2257	-0.0006	0.6718	-0.1112	0.0759	0.5468	-0.0542	0.5281	5.591	22.0223	52.449
29	0.2632	-0.3441	0.0259	0.8044	-0.4772	0.4874	0.0343	0.3279	0.33	-0.1843	0.6189	-0.28	0.2667	0.3904	-0	0.7164	-0.0818	0.0984	0.7225	-0.1707	0.5546	9.2597	9.6069	42.5184
30	0.5172	0.0219	0.4286	0.2843	0.1569	0.5324	0.5258	0.4346	-0.1142	-0.9007	-0.107	-0.7435	-0.1225	0.3808	0.0023	1.1073	-0.2751	0.241	0.808	-0.1892	0.7581	17.4814	16.462	33.2855
31	0.1005	0.0686	-0.0151	0.0627	0.0055	-0.0042	0.921	0.0268	-0.0253	0.2381	-0.3654	-0.6557	-0.3482	1.1133	0.0048	1.6024	0.2145	-0.4504	1.3001	-0.0775	1.2218	18.5718	-9.174	62.8339
32	-0.0017	0.0121	0.0244	0.2746	0.0685	0.0322	-0.0806	-0.8648	0.2882	0.541	0.4102	0.4283	-0.0659	1.184	-0.0038	1.5026	-0.0253	-0.1075	0.8986	-0.0791	0.8138	4.2579	-7.6764	62.8214
33	0.1616	-0.057	-0.0386	0.0427	0.0103	0.0109	1.1286	-0.4681	-2.1866	0.3377	0.6931	0.7095	-0.6524	-0.1753	0.008	1.1978	0.0765	-0.0669	0.6972	-0.0291	1.0807	-5.9083	1.4513	50.6838
34	0.3142	0.4216	0.1349	0.7662	-0.0036	0.0476	-0.1315	0.1568	0.0836	0.3594	0.4226	0.6445	0.0326	0.2907	0.0013	1.0655	0.0443	-0.0392	0.8145	0.041	0.8706	-1.85	-9.3355	51.7477
35	0.7183	-0.3116	-0.3626	0.2029	0.062	0.2582	0.0214	-0.6396	-0.0804	1.0991	0.784	-0.7797	0.2851	0.5497	-0.0006	1.2366	-0.012	-0.1839	1.0459	-0.2612	1.0903	10.5526	-7.6356	60.0682
36	0.9087	0.843	0.4689	1.2207	0.1821	0.3266	0.1806	-0.8053	-0.4214	0.7042	0.305	-0.5142	0.1203	-0.2629	0.0002	1.4968	-0.0149	0.0912	0.9188	0.0597	0.8705	1.9478	-26.3021	60.5434
37	0.0849	-0.0431	0.1365	0.0771	-0.1214	0.15	-0.4156	-0.2385	-0.4491	0.4413	1.2289	-1.3936	-0.0307	0.3353	-0.0017	1.0828	-0.029	0.1533	0.7174	-0.0752	1.2378	10.5027	-30.0706	44.8581
38	0.542	0.2891	0.1157	0.267	0.1277	0.1894	-0.3076	-0.2814	0.6503	0.641	1.0148	-0.2867	0.3437	-0.4094	0.0007	1.1428	0.0154	0.1033	0.8314	0.0047	0.7914	0.149	-18.7573	54.1815
39	0.4023	-0.1189	-0.0428	0.0621	-0.0291	0.0504	0.5568	-1.2491	0.2989	0.4456	-0.3223	-0.4617	-0.1279	-0.097	0.0003	1.335	0.1116	0.1232	0.9632	0.2272	1.0226	-3.2456	-25.5253	62.508

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	(CHAIN A AND RESID 1:7)
2	X-RAY DIFFRACTION	2	(CHAIN A AND RESID 8:12)
3	X-RAY DIFFRACTION	3	(CHAIN A AND RESID 13:16)
4	X-RAY DIFFRACTION	4	(CHAIN A AND RESID 17:20)
5	X-RAY DIFFRACTION	5	(CHAIN A AND RESID 21:24)
6	X-RAY DIFFRACTION	6	(CHAIN B AND RESID 1:4)
7	X-RAY DIFFRACTION	7	(CHAIN B AND RESID 5:10)
8	X-RAY DIFFRACTION	8	(CHAIN B AND RESID 11:14)
9	X-RAY DIFFRACTION	9	(CHAIN B AND RESID 15:19)
10	X-RAY DIFFRACTION	10	(CHAIN B AND RESID 20:24)
11	X-RAY DIFFRACTION	11	(CHAIN C AND RESID 1:4)
12	X-RAY DIFFRACTION	12	(CHAIN C AND RESID 5:9)
13	X-RAY DIFFRACTION	13	(CHAIN C AND RESID 10:13)
14	X-RAY DIFFRACTION	14	(CHAIN C AND RESID 14:18)
15	X-RAY DIFFRACTION	15	(CHAIN C AND RESID 19:24)
16	X-RAY DIFFRACTION	16	(CHAIN D AND RESID 1:4)
17	X-RAY DIFFRACTION	17	(CHAIN D AND RESID 5:9)
18	X-RAY DIFFRACTION	18	(CHAIN D AND RESID 10:13)
19	X-RAY DIFFRACTION	19	(CHAIN D AND RESID 14:20)
20	X-RAY DIFFRACTION	20	(CHAIN D AND RESID 21:24)
21	X-RAY DIFFRACTION	21	(CHAIN E AND RESID 1:4)
22	X-RAY DIFFRACTION	22	(CHAIN E AND RESID 5:9)
23	X-RAY DIFFRACTION	23	(CHAIN E AND RESID 10:13)
24	X-RAY DIFFRACTION	24	(CHAIN E AND RESID 14:19)
25	X-RAY DIFFRACTION	25	(CHAIN E AND RESID 20:24)
26	X-RAY DIFFRACTION	26	(CHAIN F AND RESID 2:5)
27	X-RAY DIFFRACTION	27	(CHAIN F AND RESID 6:9)
28	X-RAY DIFFRACTION	28	(CHAIN F AND RESID 10:13)
29	X-RAY DIFFRACTION	29	(CHAIN F AND RESID 14:19)
30	X-RAY DIFFRACTION	30	(CHAIN F AND RESID 20:24)
31	X-RAY DIFFRACTION	31	(CHAIN G AND RESID 1:4)
32	X-RAY DIFFRACTION	32	(CHAIN G AND RESID 5:8)
33	X-RAY DIFFRACTION	33	(CHAIN G AND RESID 9:12)
34	X-RAY DIFFRACTION	34	(CHAIN G AND RESID 13:18)
35	X-RAY DIFFRACTION	35	(CHAIN G AND RESID 19:24)
36	X-RAY DIFFRACTION	36	(CHAIN H AND RESID 4:10)
37	X-RAY DIFFRACTION	37	(CHAIN H AND RESID 11:14)
38	X-RAY DIFFRACTION	38	(CHAIN H AND RESID 15:19)
39	X-RAY DIFFRACTION	39	(CHAIN H AND RESID 20:23)

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