PDB-5m73: Structure of the human SRP S domain with SRP72 RNA-binding domain

ID or keywords:

Entry

Database: PDB / ID: 5m73

Title

Structure of the human SRP S domain with SRP72 RNA-binding domain

Components

(Signal recognition particle subunit ...) x 2
Human gene for small cytoplasmic 7SL RNA (7L30.1)
Signal recognition particle 19 kDa protein

Keywords

RNA BINDING PROTEIN / protein targeting / signal recognition particle / protein-RNA complex / RNA kink-turn

Function / homology

Function and homology information

SRP-dependent cotranslational protein targeting to membrane, signal sequence recognition / endoplasmic reticulum signal peptide binding / signal recognition particle, endoplasmic reticulum targeting / signal recognition particle / signal recognition particle binding / cotranslational protein targeting to membrane / 7S RNA binding / SRP-dependent cotranslational protein targeting to membrane / TPR domain binding / SRP-dependent cotranslational protein targeting to membrane ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.4 Å

Authors

Becker, M.M.M. / Wild, K. / Sinning, I.

Funding support

Germany, 2items

Citation

Journal: Nucleic Acids Res. / Year: 2017
Title: Structures of human SRP72 complexes provide insights into SRP RNA remodeling and ribosome interaction.
Authors: Becker, M.M. / Lapouge, K. / Segnitz, B. / Wild, K. / Sinning, I.

History

Deposition	Oct 26, 2016	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Dec 7, 2016	Provider: repository / Type: Initial release
Revision 1.1	Dec 14, 2016	Group: Database references
Revision 1.2	Dec 21, 2016	Group: Derived calculations
Revision 1.3	Jan 18, 2017	Group: Database references
Revision 1.4	Oct 16, 2019	Group: Author supporting evidence / Data collection / Derived calculations Category: ndb_struct_conf_na / ndb_struct_na_base_pair ...ndb_struct_conf_na / ndb_struct_na_base_pair / ndb_struct_na_base_pair_step / pdbx_audit_support / reflns_shell / struct_conn Item: _pdbx_audit_support.funding_organization
Revision 1.5	Oct 23, 2019	Group: Data collection / Database references / Category: struct_ref_seq_dif / Item: _struct_ref_seq_dif.details
Revision 1.6	Jan 17, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _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_label_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5m73.cif.gz	645.2 KB	Display	PDBx/mmCIF format
PDB format	pdb5m73.ent.gz	526.2 KB	Display	PDB format
PDBx/mmJSON format	5m73.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	5m73_validation.pdf.gz	546.3 KB	Display	wwPDB validaton report
Full document	5m73_full_validation.pdf.gz	609.8 KB	Display
Data in XML	5m73_validation.xml.gz	44.5 KB	Display
Data in CIF	5m73_validation.cif.gz	60.6 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/m7/5m73 ftp://data.pdbj.org/pub/pdb/validation_reports/m7/5m73	HTTPS FTP

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Related structure data

Related structure data	5m72C 4p3eS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	5l7d-1 4qjh-d 7dey-d 3pgj-d 3qq2-d 6i5y-d 4akr-d 6hb7-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	#121 - Jan 2010 70S Ribosomes similarity (2) #130 - Oct 2010 Riboswitches similarity (2) #16 - Apr 2001 Aminoacyl-tRNA Synthetases similarity (1) #157 - Jan 2013 Transfer-Messenger RNA similarity (2) #253 - Jan 2021 Expressome similarity (2) #260 - Aug 2021 Ribonuclease P similarity (2) #181 - Jan 2015 Cascade and CRISPR similarity (1) #229 - Jan 2019 Fluorescent RNA Aptamers similarity (1) #146 - Feb 2012 Aminoglycoside Antibiotics similarity (2) #15 - Mar 2001 Transfer RNA similarity (1) #249 - Sep 2020 SARS-CoV-2 RNA-dependent RNA Polymerase similarity (1) #10 - Oct 2000 Ribosome similarity (2) #210 - Jun 2017 Adenine Riboswitch in Action similarity (1) #87 - Mar 2007 Zinc Fingers similarity (1) #226 - Oct 2018 Aminoglycoside Antibiotics and Resistance similarity (2) #245 - May 2020 Spliceosomes similarity (2) #262 - Oct 2021 Fifty Years of Open Access to PDB Structures similarity (2) #65 - May 2005 Self-splicing RNA similarity (2) #105 - Sep 2008 Ribonuclease A similarity (1) #98 - Feb 2008 Small Interfering RNA similarity (1) #266 - Feb 2022 Oligosaccharyltransferase similarity (3) #161 - May 2013 Ricin similarity (2) #227 - Nov 2018 Telomerase similarity (2) #230 - Feb 2019 Initiation Factor eIF4E similarity (6) #104 - Aug 2008 Selenocysteine Synthase similarity (1) #106 - Oct 2008 Poly(A) Polymerase similarity (1) #143 - Nov 2011 Toll-like Receptors similarity (1) #81 - Sep 2006 Elongation Factors similarity (1) #89 - May 2007 Aconitase and Iron Regulatory Protein 1 similarity (1) #141 - Sep 2011 O-GlcNAc Transferase similarity (5) #241 - Jan 2020 Twenty Years of Molecules similarity (1) #60 - Dec 2004 Ubiquitin similarity (1) #166 - Oct 2013 Proteasome similarity (3) #234 - Jun 2019 MDM2 and Cancer similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

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Deposited unit

A: Human gene for small cytoplasmic 7SL RNA (7L30.1)

B: Signal recognition particle 19 kDa protein

C: Signal recognition particle subunit SRP68

D: Signal recognition particle subunit SRP72

E: Human gene for small cytoplasmic 7SL RNA (7L30.1)

F: Signal recognition particle 19 kDa protein

G: Signal recognition particle subunit SRP68

H: Signal recognition particle subunit SRP72

hetero molecules

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

1

A: Human gene for small cytoplasmic 7SL RNA (7L30.1)

B: Signal recognition particle 19 kDa protein

C: Signal recognition particle subunit SRP68

D: Signal recognition particle subunit SRP72

hetero molecules

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

2

E: Human gene for small cytoplasmic 7SL RNA (7L30.1)

F: Signal recognition particle 19 kDa protein

G: Signal recognition particle subunit SRP68

H: Signal recognition particle subunit SRP72

hetero molecules

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

Unit cell

Length a, b, c (Å)	134.567, 139.306, 152.246
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID
1	1
2	1
1	2
2	2
1	3
2	3

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Selection details
1	1	1	(CHAIN G AND (RESSEQ 51:68 OR RESSEQ 70:92 OR RESSEQ...
2	1	1	(CHAIN C AND (RESSEQ 51:68 OR RESSEQ 70:92 OR RESSEQ...
1	1	2	(CHAIN B AND (RESSEQ 14:57 OR RESSEQ 59:73 OR RESSEQ 75:78 OR RESSEQ 80:88 OR RESSEQ 90:115))
2	1	2	(CHAIN F AND (RESSEQ 14:57 OR RESSEQ 59:73 OR RESSEQ 75:78 OR RESSEQ 80:88 OR RESSEQ 90:115))
1	1	3	(CHAIN A AND ((RESID 106 AND (NAME P OR NAME...
2	1	3	(CHAIN E AND ((RESID 106 AND (NAME P OR NAME...

NCS ensembles :

ID
1
2
3

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Signal recognition particle subunit ... , 2 types, 4 molecules CGDH

#3: Protein	Signal recognition particle subunit SRP68 / SRP68 / Signal recognition particle 68 kDa protein Mass: 24280.811 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: SRP68 / Production host: Escherichia coli (E. coli) / References: UniProt: Q9UHB9
#4: Protein	Signal recognition particle subunit SRP72 / SRP72 / Signal recognition particle 72 kDa protein Mass: 17189.633 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: SRP72 / Production host: Escherichia coli (E. coli) / References: UniProt: O76094

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RNA chain / Protein , 2 types, 4 molecules AEBF

#1: RNA chain	Human gene for small cytoplasmic 7SL RNA (7L30.1) Mass: 47199.980 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Escherichia coli (E. coli) / References: GenBank: 23924
#2: Protein	Signal recognition particle 19 kDa protein / SRP19 Mass: 14791.062 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: SRP19 / Production host: Escherichia coli (E. coli) / References: UniProt: P09132

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Non-polymers , 3 types, 64 molecules

#5: Chemical	... ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 45 / Source method: obtained synthetically / Formula: Mg
#6: Chemical	ChemComp-K / POTASSIUM ION Mass: 39.098 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: K
#7: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 9 / Source method: obtained synthetically / Formula: C₃H₈O₃

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 4.02 Å³/Da / Density % sol: 69.4 %
Crystal grow	Temperature: 277.15 K / Method: vapor diffusion, hanging drop / Details: 17 % (w/v) PEG3350 0.1 M KF 0.1 M Tris pH 8.5

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Data collection

Diffraction	Mean temperature: 80 K
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: ID29 / Wavelength: 0.97779 Å
Detector	Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Feb 6, 2015
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97779 Å / Relative weight: 1
Reflection	Resolution: 3.4→48.4 Å / Num. obs: 39893 / % possible obs: 99.7 % / Redundancy: 13.4 % / R_merge(I) obs: 0.253 / Net I/σ(I): 8.7

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Processing

Software

Name	Version	Classification
PHENIX	1.10.1_2155	refinement
PDB_EXTRACT	3.2	data extraction
XDS		data reduction
Aimless		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 4p3e

4p3e

Resolution: 3.4→48.39 Å / SU ML: 0.5 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 35.15

	R_factor	Num. reflection	% reflection
R_free	0.28	3638	4.84 %
R_work	0.237	-	-
obs	0.239	39533	99 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å

Displacement parameters

B_iso mean: 137.4 Å²

Refinement step

Cycle: LAST / Resolution: 3.4→48.39 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	5776	6243	109	0	12128

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.01	12913
X-RAY DIFFRACTION	f_angle_d	1.567	18812
X-RAY DIFFRACTION	f_dihedral_angle_d	17.971	7155
X-RAY DIFFRACTION	f_chiral_restr	0.094	2268
X-RAY DIFFRACTION	f_plane_restr	0.011	1300

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Type
1	1	G	1754	X-RAY DIFFRACTION	POSITIONAL
1	2	C	1754	X-RAY DIFFRACTION	POSITIONAL
2	1	B	923	X-RAY DIFFRACTION	POSITIONAL
2	2	F	923	X-RAY DIFFRACTION	POSITIONAL
3	1	A	3324	X-RAY DIFFRACTION	POSITIONAL
3	2	E	3324	X-RAY DIFFRACTION	POSITIONAL

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 (%)
3.4-3.4447	0.4019	109	0.3732	2775	X-RAY DIFFRACTION	98
3.4447-3.4919	0.4576	111	0.3662	2737	X-RAY DIFFRACTION	99
3.4919-3.5418	0.4072	167	0.361	2718	X-RAY DIFFRACTION	98
3.5418-3.5946	0.3703	147	0.3518	2673	X-RAY DIFFRACTION	98
3.5946-3.6508	0.3981	140	0.3566	2756	X-RAY DIFFRACTION	98
3.6508-3.7106	0.3875	122	0.3575	2735	X-RAY DIFFRACTION	99
3.7106-3.7746	0.4099	150	0.3377	2771	X-RAY DIFFRACTION	99
3.7746-3.8432	0.3821	121	0.3375	2741	X-RAY DIFFRACTION	98
3.8432-3.9171	0.3603	122	0.3177	2754	X-RAY DIFFRACTION	99
3.9171-3.997	0.342	142	0.2985	2704	X-RAY DIFFRACTION	98
3.997-4.0839	0.3732	143	0.2961	2758	X-RAY DIFFRACTION	98
4.0839-4.1788	0.3901	137	0.2859	2737	X-RAY DIFFRACTION	99
4.1788-4.2832	0.3156	127	0.289	2755	X-RAY DIFFRACTION	99
4.2832-4.399	0.3478	156	0.2715	2769	X-RAY DIFFRACTION	99
4.399-4.5283	0.3177	166	0.2682	2734	X-RAY DIFFRACTION	99
4.5283-4.6744	0.2849	178	0.248	2712	X-RAY DIFFRACTION	99
4.6744-4.8413	0.2836	172	0.2455	2749	X-RAY DIFFRACTION	99
4.8413-5.0349	0.3085	138	0.2263	2750	X-RAY DIFFRACTION	99
5.0349-5.2638	0.2933	113	0.2156	2800	X-RAY DIFFRACTION	100
5.2638-5.541	0.2752	126	0.2321	2820	X-RAY DIFFRACTION	100
5.541-5.8876	0.2804	158	0.2167	2759	X-RAY DIFFRACTION	100
5.8876-6.3413	0.2628	178	0.2133	2755	X-RAY DIFFRACTION	100
6.3413-6.9777	0.24	134	0.21	2774	X-RAY DIFFRACTION	100
6.9777-7.9835	0.2196	103	0.1744	2828	X-RAY DIFFRACTION	100
7.9835-10.0436	0.1937	120	0.1657	2786	X-RAY DIFFRACTION	100
10.0436-48.3975	0.1724	158	0.1442	2748	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	0.0511	0.8807	-0.2396	1.0271	-0.7897	2.3434	0.127	-0.0823	0.3194	-0.3925	-0.626	-0.3997	-0.1085	0.1184	0.3462	1.7456	0.0911	0.1605	0.6572	0.2495	1.9956	-15.4992	37.0856	-20.3686
2	-0.4355	-0.1209	-0.1084	1.2778	0.1741	-0.4773	0.3145	-0.2292	0.0944	0.8924	-0.7108	-0.0186	-0.1645	-0.3444	0.258	1.9938	0.0578	0.1839	0.6032	0.0145	2.0592	-7.9926	-21.4144	-17.5611
3	0.4225	-1.0832	-0.0082	1.8343	1.0067	0.0377	0.3494	0.101	0.0421	-0.7902	-0.5116	0.0148	-0.1885	-0.2617	0.1008	2.0752	0.0667	0.2086	0.6031	0.1154	1.9305	-11.7163	1.3088	-30.421
4	1.3336	0.1186	0.6311	2.7222	-0.7561	0.6495	0.3548	-0.1801	-0.0647	0.0068	0.0148	0.8047	-0.7136	-0.8158	-0.4169	2.4722	0.1884	0.3744	0.7153	0.2769	2.7605	-24.7495	71.2901	-22.2497
5	6.6079	-2.2554	1.0282	2.8189	1.3363	2.2428	-0.2135	-0.6166	-0.7897	-0.4938	-0.4615	0.4301	0.5637	-0.0487	0.28	1.8483	-0.004	0.11	0.2691	-0.0206	0.9592	4.3949	-37.9954	-25.8452
6	2.8873	-2.8059	0.4984	3.6872	-1.6897	1.6299	0.2059	0.4219	-0.4047	-0.2703	-0.2009	-1.2527	0.747	0.3963	-0.0059	1.7021	0.0199	1.1538	0.2895	-0.6389	0.0757	2.1449	-25.7099	-24.5126
7	5.8085	-3.7777	-0.6129	7.9952	4.0809	6.8402	-0.6371	0.3338	0.2138	1.0573	-0.154	0.5035	-1.3642	0.8466	0.3747	1.215	-0.0238	0.0865	0.4395	0.1256	1.2108	12.9889	-35.3998	-22.5112
8	1.7283	-0.3185	0.0601	3.6398	2.4175	1.8487	-0.0268	0.4869	-0.7161	-1.2108	0.0598	-0.2224	0.3174	0.7245	-0.206	2.3203	0.2417	0.2064	-0.0858	-0.1387	1.4642	6.1307	-41.4768	-28.5719
9	2.8105	-0.3357	-1.0034	0.1792	-0.4742	3.0426	-0.0646	-0.4832	-0.1164	1.736	-0.3743	-0.8134	-1.0868	2.045	0.2202	2.1836	0.2455	0.03	-0.1329	-0.1795	1.5906	13.3205	-38.9744	-17.0267
10	3.5026	1.8365	-0.4611	3.7266	-0.3942	2.1676	0.1381	0.5099	0.3532	-0.6012	-0.1593	-0.794	-0.4731	-0.0951	0.1348	1.6297	0.0461	0.3382	0.5184	0.068	1.5452	-18.9065	35.2166	-10.8968
11	9.2685	-2.0185	-5.8747	6.3464	6.0794	9.5545	0.3283	-1.2769	1.0038	-0.7735	-0.0108	-0.9579	-1.6544	2.1759	-0.5195	1.2043	-0.1032	0.0963	1.0482	0.2165	2.2348	-4.3802	37.76	-4.9735
12	4.5434	0.9979	-0.4644	3.6262	-0.6432	4.8704	0.2253	-0.4696	0.0108	-0.1248	-0.2473	-0.2958	-0.065	0.2397	0.0427	1.391	-0.0662	0.0563	0.4597	0.1177	1.2833	-19.3279	26.2791	2.0626
13	8.7754	-2.2583	1.2914	2.4223	-1.4792	4.9522	-0.3971	-0.3687	-0.2284	0.5826	0.9748	1.5888	-0.0341	-0.3812	-0.5945	1.2097	0.1106	0.462	0.7741	0.0533	1.7765	-31.6241	26.5112	10.5104
14	4.4857	5.0936	3.3718	6.0374	4.344	3.5687	-0.4762	1.3471	0.1808	-0.9834	0.3528	-1.5466	-0.3496	0.9623	0.1561	1.1875	-0.1316	0.1707	1.4017	0.103	1.9092	-12.4989	79.7417	-25.1403
15	7.6039	-3.4137	-1.9252	1.6068	0.9488	0.5582	0.1538	-0.4652	0.1649	-0.9589	0.1821	-1.8268	-0.2736	0.4138	-0.1409	3.0136	-0.1914	0.1606	0.2105	-0.3797	4.0574	-10.5557	85.2388	-32.1314
16	3.5062	-3.4704	-1.3644	4.5885	-1.0691	5.5241	-0.1179	0.5865	0.8613	0.0406	-0.4378	1.3004	-1.9311	-0.5062	0.1676	2.0307	0.046	-0.6397	1.1643	0.0127	3.0692	-14.936	77.3125	-38.6147
17	3.546	-4.2697	0.3666	6.4495	-0.153	0.154	-0.1134	0.9977	0.1517	-0.7884	-0.3383	0.7381	1.2175	-0.628	0.0151	2.4993	-0.05	0.2885	0.4717	0.102	1.8347	-9.7031	56.4001	-37.2266
18	1.7136	2.1133	-1.4188	2.5202	-1.5568	0.8436	0.3396	0.121	-0.9943	0.063	-0.8604	0.6579	0.6471	0.3464	0.5482	2.6452	0.1299	0.0479	0.8665	-0.1735	2.089	-50.4986	-28.2223	-21.5459
19	0.8199	0.003	-0.025	0.8286	-1.3732	1.2604	0.6738	0.0897	0.5153	0.7126	-0.8529	-0.0862	-0.5467	-0.0288	0.1765	2.7815	-0.0381	0.1043	0.7954	0.0177	1.8319	-60.9843	42.83	-17.4397
20	0.8179	-2.5507	0.1133	7.3055	-0.5897	0.1802	0.578	0.2457	0.3436	0.2929	-0.3561	0.7395	-0.9398	-0.1369	-0.1815	2.208	-0.1002	0.0652	0.7726	0.1213	1.5153	-59.3023	26.234	-10.3496
21	0.7112	-2.8002	0.56	8.2801	-1.1915	2.1032	0.191	0.1643	0.2266	-0.491	-0.5321	-0.1811	-0.0898	0.0137	0.3539	2.1963	-0.0512	0.3398	0.8462	0.2123	2.0695	-55.8005	44.3726	-35.3443
22	6.3699	-4.312	-1.5235	2.9315	0.0948	5.1976	2.0388	-0.0538	0.0858	-1.063	-2.3727	-0.6008	-0.2099	0.1658	0.3123	2.9565	-0.0418	0.3807	1.0092	0.1951	1.8705	-55.7254	42.2357	-40.0941
23	4.6996	1.2432	-1.632	0.3907	-0.8965	2.6567	0.4517	0.4126	-0.2637	-0.7477	-0.6363	-0.0462	0.9303	0.1062	0.1912	2.0631	0.0373	-0.1976	0.8217	-0.069	1.5386	-54.7518	-1.172	-26.0246
24	4.1001	-3.3128	-0.4414	3.9375	1.3614	1.6729	0.4377	0.2082	-0.4426	0.5351	-0.7574	0.1163	0.119	0.3875	0.2397	2.7242	-0.0173	0.2062	0.9687	-0.1526	2.9369	-45.4953	-42.7042	-20.3881
25	5.0956	-1.3823	-1.2909	0.5846	-0.4529	3.5138	-0.2079	-0.3224	2.9843	-0.6143	1.1843	2.4452	-1.6211	-0.2017	-0.7882	2.6134	0.4157	0.4848	1.0223	0.1094	1.9577	-70.8039	67.4923	-25.8057
26	2.3444	-1.1507	0.7427	3.1281	-1.9967	1.4398	0.0389	0.4259	1.0648	0.2225	0.4144	1.0441	-2.1938	-1.6391	-0.5395	2.898	0.5952	0.3717	1.3507	0.445	1.5741	-78.2498	62.2623	-25.4335
27	4.9695	-1.2544	-0.4008	0.9868	1.5744	5.1782	0.3892	0.4192	0.6188	1.8381	0.2659	-0.3023	-0.151	-1.2443	-0.668	2.1855	0.2197	0.2059	1.049	0.2762	1.727	-73.4952	60.2751	-36.707
28	3.6489	-0.8261	-2.1246	0.8774	0.7376	1.376	1.1308	-0.0263	2.4185	0.8489	0.2894	-0.8439	-1.4119	0.3681	-1.1841	3.709	0.0962	0.4011	1.2016	0.7725	2.8747	-70.5877	76.5484	-22.9543
29	5.1466	7.0497	5.7703	9.7372	7.9103	6.4977	1.0539	-0.8055	3.4403	0.2212	-0.8696	0.2458	-0.7161	-0.0259	-0.3807	2.6216	0.5759	0.5956	1.501	-0.063	1.886	-72.9734	76.9363	-13.0269
30	0.1958	-0.6755	-0.3117	2.7963	1.8573	5.8173	-0.9721	-0.1515	0.3392	0.5102	-0.7077	1.3376	-0.3924	-2.52	0.3194	3.2534	1.1268	1.0739	1.2866	0.929	1.5935	-82.8842	63.8121	-20.3989
31	1.485	1.6139	0.7643	4.2188	1.5265	1.6956	1.2377	0.6938	-1.0173	-0.3116	-0.1017	0.113	0.2257	0.3959	-0.5345	1.9469	0.0284	0.0622	0.4308	0.2004	1.697	-49.7121	-8.9369	-6.063
32	5.7713	-1.5904	1.9805	3.3173	-0.4288	7.8502	0.2319	0.7946	0.1081	-1.2908	0.2352	0.7643	0.6962	-1.4974	-0.5725	1.4404	0.0457	-0.2012	0.907	-0.005	1.8221	-68.8358	-4.8908	-13.4258
33	6.053	-5.7243	2.4998	5.8304	-1.8824	1.6941	0.1925	0.0286	-0.0182	-1.1728	1.1931	3.1877	1.8245	-1.8116	-1.4281	1.6228	-0.146	-0.5943	1.103	0.6867	2.4157	-66.338	-15.0358	-3.1699
34	3.0546	3.1975	-0.4304	7.6171	-0.7249	1.9991	0.3181	0.3072	-0.1264	-0.7419	-0.0021	-0.0143	0.1134	0.274	-0.0117	2.0372	-0.0554	0.1398	0.168	-0.0322	1.3326	-53.0494	4.2929	-3.2529
35	5.0599	2.0613	-0.0688	4.8876	-0.5787	3.5	0.0041	-0.5769	-0.5372	0.2745	0.0415	-0.9222	0.0431	-0.1365	-0.0335	1.4837	-0.3021	-0.1902	0.558	0.0344	1.1529	-48.9717	-0.846	11.8098
36	0.5509	0.62	-1.7329	1.1099	-2.6074	6.4942	-0.0983	-0.1665	-0.2977	0.1094	-0.1363	-0.1362	0.1957	0.1198	0.1367	2.2841	0.0611	0.0755	1.8073	-0.0451	1.146	-57.3738	-51.412	-24.4262
37	6.1703	-2.1104	1.6644	4.8332	-2.4899	3.3086	1.159	0.562	-2.0229	0.4045	0.528	1.43	2.6068	0.873	-1.2235	1.7387	-0.162	-0.3984	1.309	0.1893	2.6222	-54.2976	-50.377	-35.096
38	2.8271	0.3301	-0.2083	2.5673	-2.0963	1.5391	-1.1503	1.699	0.0973	-0.1312	-0.2538	-0.8028	-2.6572	-0.3733	1.0277	1.9337	0.1295	-0.2899	1.2506	-0.2672	1.1876	-60.5115	-26.8896	-36.4394

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	CHAIN 'A' AND (RESID 106 THROUGH 135 )
2	X-RAY DIFFRACTION	2	CHAIN 'A' AND (RESID 136 THROUGH 165 )
3	X-RAY DIFFRACTION	3	CHAIN 'A' AND (RESID 166 THROUGH 235 )
4	X-RAY DIFFRACTION	4	CHAIN 'A' AND (RESID 236 THROUGH 249 )
5	X-RAY DIFFRACTION	5	CHAIN 'B' AND (RESID 11 THROUGH 28 )
6	X-RAY DIFFRACTION	6	CHAIN 'B' AND (RESID 29 THROUGH 33 )
7	X-RAY DIFFRACTION	7	CHAIN 'B' AND (RESID 34 THROUGH 56 )
8	X-RAY DIFFRACTION	8	CHAIN 'B' AND (RESID 57 THROUGH 94 )
9	X-RAY DIFFRACTION	9	CHAIN 'B' AND (RESID 95 THROUGH 118 )
10	X-RAY DIFFRACTION	10	CHAIN 'C' AND (RESID 50 THROUGH 99 )
11	X-RAY DIFFRACTION	11	CHAIN 'C' AND (RESID 100 THROUGH 114 )
12	X-RAY DIFFRACTION	12	CHAIN 'C' AND (RESID 115 THROUGH 218 )
13	X-RAY DIFFRACTION	13	CHAIN 'C' AND (RESID 219 THROUGH 246 )
14	X-RAY DIFFRACTION	14	CHAIN 'D' AND (RESID 557 THROUGH 561 )
15	X-RAY DIFFRACTION	15	CHAIN 'D' AND (RESID 562 THROUGH 567 )
16	X-RAY DIFFRACTION	16	CHAIN 'D' AND (RESID 568 THROUGH 576 )
17	X-RAY DIFFRACTION	17	CHAIN 'D' AND (RESID 577 THROUGH 603 )
18	X-RAY DIFFRACTION	18	CHAIN 'E' AND (RESID 105 THROUGH 124 )
19	X-RAY DIFFRACTION	19	CHAIN 'E' AND (RESID 125 THROUGH 154 )
20	X-RAY DIFFRACTION	20	CHAIN 'E' AND (RESID 155 THROUGH 174 )
21	X-RAY DIFFRACTION	21	CHAIN 'E' AND (RESID 175 THROUGH 204 )
22	X-RAY DIFFRACTION	22	CHAIN 'E' AND (RESID 205 THROUGH 214 )
23	X-RAY DIFFRACTION	23	CHAIN 'E' AND (RESID 215 THROUGH 234 )
24	X-RAY DIFFRACTION	24	CHAIN 'E' AND (RESID 235 THROUGH 249 )
25	X-RAY DIFFRACTION	25	CHAIN 'F' AND (RESID 14 THROUGH 23 )
26	X-RAY DIFFRACTION	26	CHAIN 'F' AND (RESID 24 THROUGH 63 )
27	X-RAY DIFFRACTION	27	CHAIN 'F' AND (RESID 64 THROUGH 80 )
28	X-RAY DIFFRACTION	28	CHAIN 'F' AND (RESID 81 THROUGH 89 )
29	X-RAY DIFFRACTION	29	CHAIN 'F' AND (RESID 90 THROUGH 100 )
30	X-RAY DIFFRACTION	30	CHAIN 'F' AND (RESID 101 THROUGH 117 )
31	X-RAY DIFFRACTION	31	CHAIN 'G' AND (RESID 48 THROUGH 89 )
32	X-RAY DIFFRACTION	32	CHAIN 'G' AND (RESID 90 THROUGH 107 )
33	X-RAY DIFFRACTION	33	CHAIN 'G' AND (RESID 108 THROUGH 114 )
34	X-RAY DIFFRACTION	34	CHAIN 'G' AND (RESID 115 THROUGH 166 )
35	X-RAY DIFFRACTION	35	CHAIN 'G' AND (RESID 167 THROUGH 244 )
36	X-RAY DIFFRACTION	36	CHAIN 'H' AND (RESID 557 THROUGH 559 )
37	X-RAY DIFFRACTION	37	CHAIN 'H' AND (RESID 563 THROUGH 579 )
38	X-RAY DIFFRACTION	38	CHAIN 'H' AND (RESID 580 THROUGH 603 )

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