PDB-5g4v: Association of four two-k-turn units based on Kt-7 3bG,3nC, formi...

ID or keywords:

Entry

Database: PDB / ID: 5g4v

Title

Association of four two-k-turn units based on Kt-7 3bG,3nC, forming a square-shaped structure

Components

50S RIBOSOMAL PROTEIN L7AE
HMKT-7

Keywords

DNA BINDING / KINK TURN / L7AE / NANO CRYSTAL PACKING / NANOTECHNOLOGY

Function / homology

Function and homology information

ribonuclease P activity / tRNA 5'-leader removal / box C/D methylation guide snoRNP complex / maturation of LSU-rRNA / maturation of SSU-rRNA / small-subunit processome / mRNA splicing, via spliceosome / cytosolic large ribosomal subunit / rRNA binding / structural constituent of ribosome / translation
Similarity search - Function

Biological species

ARCHAEOGLOBUS FULGIDUS (archaea)

HALOARCULA MARISMORTUI (Halophile)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.87 Å

Authors

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

Citation

Journal: Nanoscale / Year: 2016
Title: A Quasi-Cyclic RNA Nano-Scale Molecular Object Constructed Using Kink Turns.
Authors: Huang, L. / Lilley, D.M.J.

History

Deposition	May 17, 2016	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Sep 28, 2016	Provider: repository / Type: Initial release
Revision 1.1	Jan 10, 2024	Group: Data collection / Database references ...Data collection / Database references / Other / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / citation / database_2 / pdbx_database_status / pdbx_initial_refinement_model Item: _citation.country / _database_2.pdbx_DOI ..._citation.country / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5g4v.cif.gz	285.8 KB	Display	PDBx/mmCIF format
PDB format	pdb5g4v.ent.gz	234.3 KB	Display	PDB format
PDBx/mmJSON format	5g4v.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	5g4v_validation.pdf.gz	498.5 KB	Display	wwPDB validaton report
Full document	5g4v_full_validation.pdf.gz	519.6 KB	Display
Data in XML	5g4v_validation.xml.gz	23 KB	Display
Data in CIF	5g4v_validation.cif.gz	31.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/g4/5g4v ftp://data.pdbj.org/pub/pdb/validation_reports/g4/5g4v	HTTPS FTP

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Related structure data

Related structure data	5g4tC 5g4uC 4bw0S C: citing same article (ref.) S: Starting model for refinement
Similar structure data	6q8u-d 1rqf-3 3wb8-5 6gow-d 3moo-d 1rqf-2 2z68-d 5aq9-1 7kfl-2 4i32-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 (7) #16 - Apr 2001 Aminoacyl-tRNA Synthetases similarity (1) #130 - Oct 2010 Riboswitches similarity (1) #157 - Jan 2013 Transfer-Messenger RNA similarity (1) #260 - Aug 2021 Ribonuclease P similarity (7) #253 - Jan 2021 Expressome similarity (1) #229 - Jan 2019 Fluorescent RNA Aptamers similarity (1) #181 - Jan 2015 Cascade and CRISPR similarity (1) #249 - Sep 2020 SARS-CoV-2 RNA-dependent RNA Polymerase similarity (1) #146 - Feb 2012 Aminoglycoside Antibiotics similarity (1) #15 - Mar 2001 Transfer RNA similarity (1) #10 - Oct 2000 Ribosome similarity (7) #87 - Mar 2007 Zinc Fingers similarity (1) #210 - Jun 2017 Adenine Riboswitch in Action similarity (1) #226 - Oct 2018 Aminoglycoside Antibiotics and Resistance similarity (1) #105 - Sep 2008 Ribonuclease A 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) #161 - May 2013 Ricin similarity (6) #266 - Feb 2022 Oligosaccharyltransferase similarity (4) #143 - Nov 2011 Toll-like Receptors similarity (1) #106 - Oct 2008 Poly(A) Polymerase similarity (1) #227 - Nov 2018 Telomerase similarity (1) #230 - Feb 2019 Initiation Factor eIF4E similarity (1) #104 - Aug 2008 Selenocysteine Synthase similarity (1) #81 - Sep 2006 Elongation Factors similarity (1) #89 - May 2007 Aconitase and Iron Regulatory Protein 1 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 (7)
#16 - Apr 2001
Aminoacyl-tRNA Synthetases
similarity (1)
#130 - Oct 2010
Riboswitches
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#157 - Jan 2013
Transfer-Messenger RNA
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#260 - Aug 2021
Ribonuclease P
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#253 - Jan 2021
Expressome
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#229 - Jan 2019
Fluorescent RNA Aptamers
similarity (1)
#181 - Jan 2015
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#249 - Sep 2020
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similarity (1)
#146 - Feb 2012
Aminoglycoside Antibiotics
similarity (1)
#15 - Mar 2001
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similarity (1)
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Zinc Fingers
similarity (1)
#210 - Jun 2017
Adenine Riboswitch in Action
similarity (1)
#226 - Oct 2018
Aminoglycoside Antibiotics and Resistance
similarity (1)
#105 - Sep 2008
Ribonuclease A
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
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#98 - Feb 2008
Small Interfering RNA
similarity (1)
#161 - May 2013
Ricin
similarity (6)
#266 - Feb 2022
Oligosaccharyltransferase
similarity (4)
#143 - Nov 2011
Toll-like Receptors
similarity (1)
#106 - Oct 2008
Poly(A) Polymerase
similarity (1)
#227 - Nov 2018
Telomerase
similarity (1)
#230 - Feb 2019
Initiation Factor eIF4E
similarity (1)
#104 - Aug 2008
Selenocysteine Synthase
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Elongation Factors
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Twenty Years of Molecules
similarity (1)

Deposited unit

A: HMKT-7

B: HMKT-7

C: 50S RIBOSOMAL PROTEIN L7AE

D: 50S RIBOSOMAL PROTEIN L7AE

E: HMKT-7

F: HMKT-7

G: 50S RIBOSOMAL PROTEIN L7AE

H: 50S RIBOSOMAL PROTEIN L7AE

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

1

A: HMKT-7

B: HMKT-7

C: 50S RIBOSOMAL PROTEIN L7AE

D: 50S RIBOSOMAL PROTEIN L7AE

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

2

E: HMKT-7

F: HMKT-7

G: 50S RIBOSOMAL PROTEIN L7AE

H: 50S RIBOSOMAL PROTEIN L7AE

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

Unit cell

Length a, b, c (Å)	118.650, 70.640, 92.820
Angle α, β, γ (deg.)	90.00, 105.48, 90.00
Int Tables number	5
Space group name H-M	C121

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID
1	1
2	2

/ NCS ensembles :

ID
1
2

#1: RNA chain	HMKT-7 Mass: 6209.809 Da / Num. of mol.: 4 / Fragment: KINK TURN MOTIF / Source method: obtained synthetically / Source: (synth.) HALOARCULA MARISMORTUI (Halophile)
#2: Protein	50S RIBOSOMAL PROTEIN L7AE / RIBOSOMAL PROTEIN L8E Mass: 13522.559 Da / Num. of mol.: 4 / Fragment: K-TURN BINDING DOMAIN, RESIDUES 2-119 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ARCHAEOGLOBUS FULGIDUS (archaea) / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): GOLD PLYSS / References: UniProt: O29494

#1: RNA chain

HMKT-7

Mass: 6209.809 Da / Num. of mol.: 4 / Fragment: KINK TURN MOTIF / Source method: obtained synthetically / Source: (synth.)

HALOARCULA MARISMORTUI (Halophile)

#2: Protein

50S RIBOSOMAL PROTEIN L7AE / RIBOSOMAL PROTEIN L8E

Mass: 13522.559 Da / Num. of mol.: 4 / Fragment: K-TURN BINDING DOMAIN, RESIDUES 2-119
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

ARCHAEOGLOBUS FULGIDUS (archaea) / Production host:

ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): GOLD PLYSS / References: UniProt: O29494

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.32 Å³/Da / Density % sol: 47.01 % / Description: NONE
Crystal grow	pH: 6.5 Details: 0.2 M AMMONIUM ACETATE, 0.01 M CA CHLORIDE, 0.05 M SODIUM CACODYLATE PH 6.5, 10% W/V POLYETHYLENE GLYCOL 4000

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: Diamond / Beamline: I02 / Wavelength: 0.9196
Detector	Type: DECTRIS PIXEL / Detector: PIXEL / Date: Apr 20, 2015
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9196 Å / Relative weight: 1
Reflection	Resolution: 2.87→30.49 Å / Num. obs: 16952 / % possible obs: 99.2 % / Observed criterion σ(I): 0.9 / Redundancy: 5.3 % / B_iso Wilson estimate: 98.61 Å² / R_merge(I) obs: 0.09 / Net I/σ(I): 9.3
Reflection shell	Resolution: 2.87→2.94 Å / Redundancy: 5.3 % / R_merge(I) obs: 1.42 / Mean I/σ(I) obs: 0.9 / % possible all: 99.6

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Processing

Software

Name	Version	Classification
PHENIX	(PHENIX.REFINE)	refinement
xia2		data reduction
xia2		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 4BW0

4bw0

Resolution: 2.87→30.493 Å / SU ML: 0.47 / σ(F): 1.34 / Phase error: 34.03 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2738	813	4.8 %
R_work	0.2118	-	-
obs	0.2147	16937	99.05 %

Solvent computation

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

Displacement parameters

B_iso mean: 109.14 Å²

Refinement step

Cycle: LAST / Resolution: 2.87→30.493 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3600	1648	0	0	5248

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.008	5528
X-RAY DIFFRACTION	f_angle_d	1.718	7852
X-RAY DIFFRACTION	f_dihedral_angle_d	17.232	3228
X-RAY DIFFRACTION	f_chiral_restr	0.086	960
X-RAY DIFFRACTION	f_plane_restr	0.007	716

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 (%)
2.8701-3.0498	0.4044	132	0.3513	2663	X-RAY DIFFRACTION	99
3.0498-3.285	0.3714	125	0.2924	2712	X-RAY DIFFRACTION	100
3.285-3.6151	0.3237	141	0.2866	2645	X-RAY DIFFRACTION	99
3.6151-4.1371	0.3487	144	0.2434	2642	X-RAY DIFFRACTION	98
4.1371-5.2081	0.2792	125	0.1975	2711	X-RAY DIFFRACTION	99
5.2081-30.4943	0.2091	146	0.1631	2751	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	0.0488	-0.0852	-0.1247	1.1374	1.2869	1.3667	-0.9003	-1.0843	-0.4265	0.5361	-0.0944	-0.456	-0.2753	0.395	-0.9571	0.8924	0.2243	-0.4791	1.0474	0.1169	0.9446	99.3319	27.999	37.4128
2	0.3782	-0.0126	0.3279	0.9564	0.3576	0.6018	-0.5956	0.229	0.2514	-0.0586	0.4675	-1.549	-0.8148	1.1516	-0.0302	0.8188	0.1713	-0.1312	0.9537	0.1519	0.9632	101.5362	24.6289	26.7236
3	0.6105	0.2716	-0.0596	0.3441	0.6254	1.7708	-0.5818	0.3631	0.3753	0.4654	0.375	0.7222	0.0606	-0.4242	-0.1185	0.6512	0.1386	0.0301	0.8214	0.0146	0.8956	111.9136	30.5209	13.9738
4	1.4414	-0.4051	0.1572	0.7397	0.2833	1.4718	-1.1209	-0.1314	1.5941	0.789	0.25	0.8739	-0.3118	-0.5938	-1.6063	0.8848	0.2268	-0.2359	0.7487	-0.0297	1.0333	115.3326	36.8606	19.8754
5	0.1257	0.0364	-0.0932	0.0001	-0.0048	0.0954	-0.2815	0.0054	-0.1505	0.1226	-0.159	-1.3458	0.1422	0.0604	0.0016	0.7222	0.085	-0.0663	0.6744	0.0478	0.9745	103.1582	20.3294	25.1304
6	0.9404	-0.5416	0.2074	1.1663	-0.0092	0.0431	-0.5915	0.1743	0.3234	-0.2898	-0.9511	-0.0437	0.0569	-0.6443	-0.2682	0.9304	1.0089	-0.2766	2.1973	0.247	0.5458	73.9827	25.4083	21.9446
7	0.1834	-0.0968	-0.1147	0.153	0.1215	0.1193	0.2071	-0.6519	-0.0223	0.6139	-0.4739	0.9538	-0.0188	-1.1031	0.0036	0.694	0.149	-0.0118	0.9718	-0.1186	0.7879	79.4168	12.4149	32.9326
8	0.4589	0.3152	-0.0835	0.2128	-0.052	0.0139	-0.6529	0.3207	-0.4103	0.0055	-0.2359	0.069	-0.1487	0.1082	0.0063	0.821	0.1174	-0.0465	0.7418	0.0229	0.7689	91.2403	12.7439	25.9474
9	0.2142	-0.0741	-0.1043	0.4363	0.5315	0.623	-0.3582	-0.1152	-0.152	-0.2591	-0.3321	-0.0062	-0.4638	0.5407	-0.0777	0.7774	0.0464	-0.0226	0.8072	0.0914	0.7784	91.3879	18.4944	18.0353
10	0.1176	-0.1476	-0.0252	0.2646	0.2044	0.1851	-0.5433	-0.1163	-0.3696	-0.2398	0.1031	-0.1927	0.1943	-0.0405	-0.009	0.3838	0.8643	-0.2874	0.6875	0.3801	0.2634	84.9796	14.5769	20.3157
11	0.0241	0.012	0.0399	0.0218	-0.0098	0.0283	0.1532	0.2309	0.3359	-0.1635	-0.0748	-0.1579	0.2048	0.0225	-0.0028	1.015	0.4207	-0.0007	0.9911	0.1519	0.9292	84.106	30.3035	22.5764
12	0.1023	-0.0203	0.0877	-0.0046	-0.0007	0.0643	-0.0074	-0.1295	-0.113	-0.2237	0.2167	0.3195	-0.091	-0.0097	0.0248	-0.117	1.6412	-2.3779	1.3326	0.9794	-2.885	81.4804	20.8465	13.0285
13	0.3078	0.1016	-0.2206	0.3115	-0.0895	0.1953	0.0153	-0.223	-0.5752	0.2314	-0.0911	-0.0781	-0.2155	-0.724	-0.0064	0.788	0.2744	-0.0242	0.7487	0.0792	0.5632	83.8305	20.4442	28.4176
14	0.3615	-0.0667	-0.2919	0.2817	0.1983	0.4312	-0.062	-0.2365	0.0266	0.1129	0.1286	-0.1741	0.0139	-0.0826	-0.9056	0.616	0.272	-0.1211	0.8599	0.1412	0.5159	85.2746	7.6434	25.5629
15	0.3084	0.2718	0.2374	0.2662	0.2085	0.1636	-0.3316	-0.4053	0.2936	0.1648	-0.908	0.6695	0.4219	-0.9537	-0.0164	0.7916	-0.0484	-0.2091	1.3446	-0.1023	0.8143	73.6701	7.4159	23.8515
16	0.0365	-0.0099	0.0301	0.0514	-0.0187	0.0181	-0.1402	0.1748	-0.147	0.3338	-0.115	0.3049	-0.177	-0.165	-0.0021	0.7309	-0.0426	-0.0111	0.9069	0.2347	0.8356	141.3816	25.0277	18.0978
17	0.0349	0.0702	-0.0198	0.1972	-0.0387	0.0453	0.8448	0.7018	0.7032	-1.0454	0.4616	-0.9563	-0.0962	-0.8602	-0.0097	0.954	0.0489	0.0966	1.6412	0.6057	0.8105	135.5866	35.8538	5.0946
18	0.2765	0.4229	-0.6334	0.6454	-0.9564	1.4104	-0.0594	0.6426	0.2818	-0.3561	-0.0205	-0.1193	-0.0307	0.1017	-0.0416	0.8703	-0.0239	-0.1791	1.4327	-0.0251	0.8369	123.6582	29.7377	6.328
19	0.091	-0.5336	-0.1494	4.0044	0.9733	0.2369	0.0999	0.1964	-1.3244	-0.6442	0.4273	0.9123	0.6369	-0.4024	0.0238	0.8549	-0.1504	-0.0354	0.8074	-0.1532	0.799	123.2521	22.0573	12.4582
20	0.2343	0.1862	0.2294	0.7909	0.5219	0.4383	0.3665	1.5375	-0.866	-1.1468	-0.4755	0.6863	-0.0711	-0.3611	0.0321	0.952	0.1875	-0.1511	1.1454	-0.1451	0.8199	129.5548	23.7834	8.1639
21	0.0327	-0.0258	-0.0243	0.0136	-0.05	0.0925	-0.3981	-0.5572	0.129	-0.2421	-0.1782	0.1047	0.1532	-0.1423	0.0016	0.7306	0.1035	-0.0826	0.6805	-0.0585	0.8003	131.1455	26.8881	23.691
22	0.1208	-0.2436	0.067	0.4814	-0.1242	0.0329	0.0638	0.2465	-0.6781	-0.3439	0.0227	0.3461	0.3962	0.1883	-0.0103	1.1597	0.2574	0.4668	0.6475	-0.2724	0.7462	133.016	16.5568	14.622
23	0.3153	0.002	-0.2104	0.106	-0.1864	0.3967	-0.3732	1.6475	0.0423	-0.7469	0.4185	0.6548	0.1733	0.5604	-0.0083	0.799	0.0329	-0.0069	0.9005	0.0684	0.7648	133.7306	30.1659	12.9159
24	0.0691	-0.0938	0.0715	0.1121	-0.0994	0.1001	-0.4626	0.0155	0.7506	-0.1425	-0.143	0.1321	-0.1415	0.1597	-0.0032	0.7655	0.1	-0.2223	0.7743	0.1708	0.7158	124.8484	37.7638	15.3369
25	0.0151	-0.0813	-0.051	0.1282	0.0815	0.071	0.2244	2.0795	0.5146	-0.6194	0.0205	-0.094	0.1592	0.0059	-0.0064	0.8524	0.0109	-0.0489	1.5588	-0.1461	0.6153	129.2064	28.5437	1.123
26	0.3374	0.3089	0.2942	0.2453	0.215	0.2078	0.2997	0.4927	0.3774	-0.8642	0.0554	-0.402	-0.0739	-0.3246	0.0394	0.9144	0.1641	0.0913	1.785	-0.264	0.8445	140.4615	25.3728	0.797
27	0.804	0.2829	-0.2902	0.094	-0.1793	0.0553	0.1902	0.0114	-1.9645	0.512	0.1849	-0.2774	0.9086	0.2477	0.2904	-0.6139	2.0908	-0.3825	-1.4273	0.6427	1.858	107.0649	-12.3358	18.4616
28	0.0242	0.2637	-0.0456	0.2212	0.0375	0.3182	0.4554	-0.0819	-1.5081	0.3308	-0.095	-0.5911	-0.4682	0.1124	0.0277	0.8601	0.045	-0.0785	0.9095	0.0479	1.5017	117.3868	4.0516	20.4125
29	0.194	0.0906	-0.0849	0.0295	-0.0233	0.0279	0.6482	-0.2681	0.1245	-0.3944	0.5047	0.0488	-0.2393	-0.6974	0.0011	1.1118	0.3826	0.1153	1.298	-0.0341	1.9637	112.5753	8.2606	36.9933
30	0.0156	0.0033	0.0395	0.0007	-0.0531	0.0162	-0.5437	-0.1849	-0.1962	0.0882	-0.1408	0.0592	-0.235	0.0085	0.0104	0.99	0.7375	1.1019	1.0638	0.2864	1.4135	115.9923	1.411	41.5305
31	0.7625	0.0388	-0.6421	0.3736	-0.4133	1.1409	0.1262	-0.1563	-0.7437	0.47	0.6406	1.1157	0.3418	0.3483	1.4288	0.6794	0.1218	-0.0434	0.6895	0.0897	1.6267	116.8531	1.3545	20.8566
32	0.0071	-0.0113	-0.0625	0.1106	0.0949	0.0569	0.494	0.1768	-0.494	-0.3573	-0.2187	-0.165	0.361	0.0098	0.0069	1.0381	-0.1274	-0.116	0.9887	0.1718	1.018	89.0291	5.7788	3.1863
33	0.006	0.0473	-0.0261	0.1585	-0.0946	0.0831	0.2327	0.1966	0.3048	-0.4957	0.0231	-0.1622	0.4006	0.4822	0.03	1.3881	0.0041	0.1125	1.4938	-0.1752	1.5055	100.4009	-5.3028	-5.3242
34	0.2766	-0.1474	0.2819	0.0701	-0.1483	0.2919	-0.0177	0.5666	-0.4229	-0.2633	0.1969	-0.1377	-0.0076	0.1848	0.0532	0.8216	-0.3424	0.0871	1.7262	0.146	0.9184	110.1147	-0.0131	1.9447
35	0.0937	-0.114	0.0265	1.888	-0.5865	0.2004	-0.1877	-0.0663	0.5816	0.1331	0.1161	-0.6982	-0.0413	0.6743	-0.0001	0.8444	-0.0979	0.1318	0.7428	0.2115	1.1369	107.0689	7.9188	7.8586
36	0.3543	0.2613	-0.0746	0.3622	-0.0947	0.0058	-0.5398	0.3127	0.2872	-0.0432	0.0688	-1.0708	-0.1504	0.6463	-0.0001	1.0327	-0.0932	0.264	1.1512	0.2055	1.1808	104.1785	6.5481	0.6572
37	0.0432	0.0367	-0.0871	0.0124	-0.0248	0.1023	-0.2413	-0.2374	-0.0486	0.3479	0.4462	-0.266	0.5828	-0.0946	-0.0022	0.8175	0.2164	0.2532	0.7762	0.2162	0.7516	94.5463	3.1647	13.1131
38	0.1718	0.107	0.2059	0.101	-0.0542	1.0458	-0.4172	0.4142	0.04	-0.179	-0.2596	-0.22	-0.2216	0.2023	-0.3133	0.8179	-0.2813	1.0313	0.0515	1.3683	0.3385	98.1405	13.759	4.9402
39	0.1763	-0.0405	-0.0081	0.0462	0.0356	0.1552	0.231	0.8851	-0.392	-1.001	0.089	-0.3251	-0.344	-0.3622	-0.0122	0.9233	-0.0228	0.2406	0.8924	0.1154	1.148	97.952	0.1098	2.4364
40	0.0037	-0.0059	0.0148	0.0537	-0.0584	0.1074	0.6391	0.1593	-0.4143	0.135	0.5564	-0.1814	0.2012	0.0968	-0.0025	0.9614	0.1503	0.1329	0.7987	-0.1215	1.2589	104.0944	-7.8508	9.1881
41	0.1205	0.0264	-0.2681	-0.0251	-0.0902	0.5571	0.0226	0.7544	0.0468	-0.4301	0.313	-0.631	-0.0076	0.2748	0.0244	0.8543	0.0228	0.4634	1.3532	-0.0604	1.1499	108.2718	1.9452	-5.3468
42	0.2763	-0.016	-0.2703	0.0086	0.0193	0.2903	0.0568	0.3881	-0.0995	-0.4601	0.2265	0.0628	0.6302	0.4016	0.025	1.4238	0.1076	0.064	1.7425	0.2961	1.1565	98.7382	6.0193	-11.5574
43	0.4999	0.5605	0.1467	0.6914	0.1881	0.0417	-0.1545	0.1763	0.0156	0.0011	-0.399	-0.3495	-0.4071	0.095	0.0085	1.7684	0.4804	-0.4619	1.1047	-0.1858	1.2401	146.1725	3.345	38.994
44	0.0015	-0.0294	-0.0006	0.0448	0.0847	0.0973	0.737	-0.273	0.0021	0.8115	-0.6617	-0.3456	-0.2493	0.0896	0.012	1.3823	0.1381	0.1357	1.0825	0.0242	0.7636	136.7456	16.0897	47.2502
45	0.0214	-0.0078	0.0359	-0.0007	-0.0161	0.0822	-0.0337	0.1539	-0.3662	0.0223	-0.0617	0.0978	-0.1342	-0.0181	0.0057	1.2087	0.1652	0.1913	0.8288	0.1418	0.9783	128.6446	16.9108	35.9522
46	-0.0023	0.006	-0.0162	0.0049	0.0006	0.0474	-0.2725	0.3372	-0.2069	-0.0625	-0.4709	0.4783	-0.2615	-0.4712	-0.0113	0.9844	0.0361	-0.0508	0.7187	0.0228	0.8427	132.5396	11.1781	28.0672
47	0.0856	-0.0021	-0.0834	0.0798	-0.0298	0.0742	0.5301	-0.3047	-0.0935	0.6572	0.5331	-0.0787	0.528	0.0735	-0.0047	1.2764	0.1083	-0.0719	0.931	0.0965	0.6725	137.0157	14.8162	33.5251
48	0.1893	-0.059	-0.1414	0.0319	0.0233	0.2462	-0.0152	-0.5886	0.0837	0.594	-0.3101	0.0677	-0.1457	0.0684	0.012	1.4117	0.4105	-0.0676	0.9853	0.0847	1.0061	136.2104	-0.9886	34.7908
49	0.2404	-0.1325	-0.0018	0.0826	0.0308	0.1378	0.0625	0.075	-0.0482	-0.0382	0.0905	-0.6565	-0.137	0.0229	-0.009	1.1483	0.2192	0.0452	0.9743	-0.0187	0.9435	143.8747	8.741	28.1251
50	0.1166	0.1073	0.0321	0.229	0.0343	0.1398	-0.4129	-1.017	0.0917	1.4608	-0.0047	-0.3505	-0.5903	-0.2547	-0.0061	1.4366	0.162	0.0527	1.0889	0.062	0.6875	134.3078	8.5357	40.776
51	0.1604	0.0414	0.0408	0.001	0.0039	0.0069	-0.3532	-0.2455	0.2139	0.4458	-0.0001	-0.5273	-0.267	0.2273	-0.0248	1.1154	0.0913	-0.1048	0.902	0.073	0.7879	134.5185	21.4751	38.3935
52	0.2495	-0.0952	0.0925	0.7383	0.0611	0.0559	0.423	-0.5461	-0.7762	0.1833	-0.1564	-0.2513	-0.1235	0.1495	0.0075	1.3204	-0.0351	-0.3694	1.4686	0.0012	1.1177	146.1089	21.0247	42.0414

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	CHAIN 'A' AND (RESID 1 THROUGH 5 )
2	X-RAY DIFFRACTION	2	CHAIN 'A' AND (RESID 6 THROUGH 10 )
3	X-RAY DIFFRACTION	3	CHAIN 'A' AND (RESID 11 THROUGH 19 )
4	X-RAY DIFFRACTION	4	CHAIN 'B' AND (RESID 1 THROUGH 10 )
5	X-RAY DIFFRACTION	5	CHAIN 'B' AND (RESID 11 THROUGH 19 )
6	X-RAY DIFFRACTION	6	CHAIN 'C' AND (RESID 1 THROUGH 8 )
7	X-RAY DIFFRACTION	7	CHAIN 'C' AND (RESID 9 THROUGH 25 )
8	X-RAY DIFFRACTION	8	CHAIN 'C' AND (RESID 26 THROUGH 31 )
9	X-RAY DIFFRACTION	9	CHAIN 'C' AND (RESID 32 THROUGH 40 )
10	X-RAY DIFFRACTION	10	CHAIN 'C' AND (RESID 41 THROUGH 50 )
11	X-RAY DIFFRACTION	11	CHAIN 'C' AND (RESID 51 THROUGH 61 )
12	X-RAY DIFFRACTION	12	CHAIN 'C' AND (RESID 62 THROUGH 68 )
13	X-RAY DIFFRACTION	13	CHAIN 'C' AND (RESID 69 THROUGH 93 )
14	X-RAY DIFFRACTION	14	CHAIN 'C' AND (RESID 94 THROUGH 103 )
15	X-RAY DIFFRACTION	15	CHAIN 'C' AND (RESID 104 THROUGH 117 )
16	X-RAY DIFFRACTION	16	CHAIN 'D' AND (RESID 1 THROUGH 8 )
17	X-RAY DIFFRACTION	17	CHAIN 'D' AND (RESID 9 THROUGH 25 )
18	X-RAY DIFFRACTION	18	CHAIN 'D' AND (RESID 26 THROUGH 31 )
19	X-RAY DIFFRACTION	19	CHAIN 'D' AND (RESID 32 THROUGH 40 )
20	X-RAY DIFFRACTION	20	CHAIN 'D' AND (RESID 41 THROUGH 50 )
21	X-RAY DIFFRACTION	21	CHAIN 'D' AND (RESID 51 THROUGH 61 )
22	X-RAY DIFFRACTION	22	CHAIN 'D' AND (RESID 62 THROUGH 68 )
23	X-RAY DIFFRACTION	23	CHAIN 'D' AND (RESID 69 THROUGH 86 )
24	X-RAY DIFFRACTION	24	CHAIN 'D' AND (RESID 87 THROUGH 93 )
25	X-RAY DIFFRACTION	25	CHAIN 'D' AND (RESID 94 THROUGH 103 )
26	X-RAY DIFFRACTION	26	CHAIN 'D' AND (RESID 104 THROUGH 117 )
27	X-RAY DIFFRACTION	27	CHAIN 'E' AND (RESID 1 THROUGH 5 )
28	X-RAY DIFFRACTION	28	CHAIN 'E' AND (RESID 6 THROUGH 15 )
29	X-RAY DIFFRACTION	29	CHAIN 'E' AND (RESID 16 THROUGH 19 )
30	X-RAY DIFFRACTION	30	CHAIN 'F' AND (RESID 1 THROUGH 5 )
31	X-RAY DIFFRACTION	31	CHAIN 'F' AND (RESID 6 THROUGH 19 )
32	X-RAY DIFFRACTION	32	CHAIN 'G' AND (RESID 1 THROUGH 8 )
33	X-RAY DIFFRACTION	33	CHAIN 'G' AND (RESID 9 THROUGH 25 )
34	X-RAY DIFFRACTION	34	CHAIN 'G' AND (RESID 26 THROUGH 31 )
35	X-RAY DIFFRACTION	35	CHAIN 'G' AND (RESID 32 THROUGH 40 )
36	X-RAY DIFFRACTION	36	CHAIN 'G' AND (RESID 41 THROUGH 50 )
37	X-RAY DIFFRACTION	37	CHAIN 'G' AND (RESID 51 THROUGH 61 )
38	X-RAY DIFFRACTION	38	CHAIN 'G' AND (RESID 62 THROUGH 68 )
39	X-RAY DIFFRACTION	39	CHAIN 'G' AND (RESID 69 THROUGH 86 )
40	X-RAY DIFFRACTION	40	CHAIN 'G' AND (RESID 87 THROUGH 93 )
41	X-RAY DIFFRACTION	41	CHAIN 'G' AND (RESID 94 THROUGH 103 )
42	X-RAY DIFFRACTION	42	CHAIN 'G' AND (RESID 104 THROUGH 117 )
43	X-RAY DIFFRACTION	43	CHAIN 'H' AND (RESID 1 THROUGH 8 )
44	X-RAY DIFFRACTION	44	CHAIN 'H' AND (RESID 9 THROUGH 25 )
45	X-RAY DIFFRACTION	45	CHAIN 'H' AND (RESID 26 THROUGH 31 )
46	X-RAY DIFFRACTION	46	CHAIN 'H' AND (RESID 32 THROUGH 40 )
47	X-RAY DIFFRACTION	47	CHAIN 'H' AND (RESID 41 THROUGH 50 )
48	X-RAY DIFFRACTION	48	CHAIN 'H' AND (RESID 51 THROUGH 61 )
49	X-RAY DIFFRACTION	49	CHAIN 'H' AND (RESID 62 THROUGH 68 )
50	X-RAY DIFFRACTION	50	CHAIN 'H' AND (RESID 69 THROUGH 93 )
51	X-RAY DIFFRACTION	51	CHAIN 'H' AND (RESID 94 THROUGH 103 )
52	X-RAY DIFFRACTION	52	CHAIN 'H' AND (RESID 104 THROUGH 117 )

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