PDB-7ozq: Crystal structure of archaeal L7Ae bound to eukaryotic kink-loop

ID or keywords:

Entry

Database: PDB / ID: 7ozq

Title

Crystal structure of archaeal L7Ae bound to eukaryotic kink-loop

Components

50S ribosomal protein L7Ae
RNA

Keywords

RIBOSOMAL PROTEIN / ribosome

Function / homology

Function and homology information

ribonuclease P activity / tRNA 5'-leader removal / rRNA processing / rRNA binding / ribosome / structural constituent of ribosome / translation / ribonucleoprotein complex / cytoplasm
Similarity search - Function

Biological species

Pyrococcus furiosus (archaea)

Saccharomyces cerevisiae (brewer's yeast)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 1.91 Å

Authors

Hoefler, S. / Lukat, P. / Carlomagno, T. / Blankenfeldt, W.

Citation

Journal: Sci Rep / Year: 2021
Title: Eukaryotic Box C/D methylation machinery has two non-symmetric protein assembly sites.
Authors: Hofler, S. / Lukat, P. / Blankenfeldt, W. / Carlomagno, T.

History

Deposition	Jun 28, 2021	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Oct 27, 2021	Provider: repository / Type: Initial release
Revision 1.1	Jan 31, 2024	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	7ozq.cif.gz	568.7 KB	Display	PDBx/mmCIF format
PDB format	pdb7ozq.ent.gz	386.3 KB	Display	PDB format
PDBx/mmJSON format	7ozq.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/oz/7ozq ftp://data.pdbj.org/pub/pdb/validation_reports/oz/7ozq	HTTPS FTP

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Related structure data

Related structure data	4bw0S S: Starting model for refinement
Similar structure data	7ozq-4 7ozq-3 7ozq-2 6o8o-1 5n92-d 2l7p-d 4q6g-d 6rpo-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) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

Related structure data

4bw0S

S: Starting model for refinement

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#121 - Jan 2010 70S Ribosomes similarity (7) #130 - Oct 2010 Riboswitches similarity (1) #16 - Apr 2001 Aminoacyl-tRNA Synthetases similarity (1) #157 - Jan 2013 Transfer-Messenger RNA similarity (1) #260 - Aug 2021 Ribonuclease P similarity (7) #181 - Jan 2015 Cascade and CRISPR similarity (1) #229 - Jan 2019 Fluorescent RNA Aptamers similarity (1) #253 - Jan 2021 Expressome similarity (1) #10 - Oct 2000 Ribosome similarity (8) #146 - Feb 2012 Aminoglycoside Antibiotics similarity (1) #15 - Mar 2001 Transfer RNA similarity (1) #249 - Sep 2020 SARS-CoV-2 RNA-dependent RNA Polymerase similarity (1) #210 - Jun 2017 Adenine Riboswitch in Action similarity (1) #87 - Mar 2007 Zinc Fingers similarity (1) #105 - Sep 2008 Ribonuclease A similarity (1) #226 - Oct 2018 Aminoglycoside Antibiotics and Resistance 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) #104 - Aug 2008 Selenocysteine Synthase similarity (1) #106 - Oct 2008 Poly(A) Polymerase similarity (1) #143 - Nov 2011 Toll-like Receptors similarity (1) #227 - Nov 2018 Telomerase similarity (1) #230 - Feb 2019 Initiation Factor eIF4E 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)
#130 - Oct 2010
Riboswitches
similarity (1)
#16 - Apr 2001
Aminoacyl-tRNA Synthetases
similarity (1)
#157 - Jan 2013
Transfer-Messenger RNA
similarity (1)
#260 - Aug 2021
Ribonuclease P
similarity (7)
#181 - Jan 2015
Cascade and CRISPR
similarity (1)
#229 - Jan 2019
Fluorescent RNA Aptamers
similarity (1)
#253 - Jan 2021
Expressome
similarity (1)
#10 - Oct 2000
Ribosome
similarity (8)
#146 - Feb 2012
Aminoglycoside Antibiotics
similarity (1)
#15 - Mar 2001
Transfer RNA
similarity (1)
#249 - Sep 2020
SARS-CoV-2 RNA-dependent RNA Polymerase
similarity (1)
#210 - Jun 2017
Adenine Riboswitch in Action
similarity (1)
#87 - Mar 2007
Zinc Fingers
similarity (1)
#105 - Sep 2008
Ribonuclease A
similarity (1)
#226 - Oct 2018
Aminoglycoside Antibiotics and Resistance
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)
#104 - Aug 2008
Selenocysteine Synthase
similarity (1)
#106 - Oct 2008
Poly(A) Polymerase
similarity (1)
#143 - Nov 2011
Toll-like Receptors
similarity (1)
#227 - Nov 2018
Telomerase
similarity (1)
#230 - Feb 2019
Initiation Factor eIF4E
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)

Deposited unit

A: 50S ribosomal protein L7Ae

B: 50S ribosomal protein L7Ae

C: 50S ribosomal protein L7Ae

D: 50S ribosomal protein L7Ae

E: RNA

F: RNA

G: RNA

H: RNA

hetero molecules

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

1

A: 50S ribosomal protein L7Ae

H: RNA

hetero molecules

defined by author&software
Evidence: gel filtration
24.3 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: 50S ribosomal protein L7Ae

E: RNA

hetero molecules

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

3

C: 50S ribosomal protein L7Ae

F: RNA

hetero molecules

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

4

D: 50S ribosomal protein L7Ae

G: RNA

hetero molecules

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

Unit cell

Length a, b, c (Å)	109.391, 61.598, 138.611
Angle α, β, γ (deg.)	90.000, 108.356, 90.000
Int Tables number	5
Space group name H-M	C121
Space group name Hall	C2y

Components on special symmetry positions

ID	Model	Components
1	1	E-102- CA
2	1	F-106- CA

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Protein / RNA chain , 2 types, 8 molecules ABCDEFGH

#1: Protein	50S ribosomal protein L7Ae / Large ribosomal subunit protein eL8 / Ribosomal protein L8e Mass: 13542.794 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pyrococcus furiosus (strain ATCC 43587 / DSM 3638 / JCM 8422 / Vc1) (archaea) Strain: ATCC 43587 / DSM 3638 / JCM 8422 / Vc1 / Gene: rpl7ae, PF1367 / Plasmid: pETM11 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q8U160
#2: RNA chain	RNA Mass: 10635.354 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source: (synth.) Saccharomyces cerevisiae (brewer's yeast)

#1: Protein

50S ribosomal protein L7Ae / Large ribosomal subunit protein eL8 / Ribosomal protein L8e

Mass: 13542.794 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Pyrococcus furiosus (strain ATCC 43587 / DSM 3638 / JCM 8422 / Vc1) (archaea)
Strain: ATCC 43587 / DSM 3638 / JCM 8422 / Vc1 / Gene: rpl7ae, PF1367 / Plasmid: pETM11 / Production host:

Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q8U160

#2: RNA chain

RNA

Mass: 10635.354 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source: (synth.)

Saccharomyces cerevisiae (brewer's yeast)

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Non-polymers , 5 types, 612 molecules

#3: Chemical	ChemComp-ACT / ACETATE ION Mass: 59.044 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C₂H₃O₂
#4: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Na
#5: Chemical	ChemComp-CA / CALCIUM ION Mass: 40.078 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Ca
#6: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Formula: Cl
#7: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 597 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	N

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.29 Å³/Da / Density % sol: 46.32 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion / pH: 4.6 Details: JCSG Core I, condition G12: 30% MPD, 0.02 M CaCl2, 0.1 M Na acetate

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

PETRA III, DESY

/ Beamline: P11 / Wavelength: 1.0332 Å

Detector

Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Oct 28, 2019

Radiation

Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 1.0332 Å / Relative weight: 1

Reflection

Resolution: 1.91→54.5 Å / Num. obs: 68501 / % possible obs: 100 % / Redundancy: 6.8 % / B_iso Wilson estimate: 31.36 Å² / CC_1/2: 0.998 / R_merge(I) obs: 0.081 / R_pim(I) all: 0.034 / R_rim(I) all: 0.088 / Net I/σ(I): 12.4 / Num. measured all: 463836 / Scaling rejects: 1

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Num. measured all	Num. unique obs	CC_1/2	R_pim(I) all	R_rim(I) all	Net I/σ(I) obs	% possible all
1.91-2.01	6.6	0.657	65674	9923	0.875	0.275	0.713	2.4	100
6.03-54.5	6.8	0.047	15556	2272	0.997	0.019	0.051	31.6	99.7

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Phasing

Phasing

Method:

molecular replacement

Phasing MR

	Highest resolution	Lowest resolution
Rotation	2.4 Å	54.5 Å
Translation	2.4 Å	54.5 Å

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Processing

Software

Name	Version	Classification
PHENIX	1.18rc4_3812	refinement
XDS		data reduction
Aimless	0.7.4	data scaling
PHASER	2.8.3	phasing
PDB_EXTRACT	3.25	data extraction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 4BW0

4bw0

Resolution: 1.91→54.5 Å / SU ML: 0.2094 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 23.3179
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2185	3281	4.79 %
R_work	0.1728	65194	-
obs	0.1749	68475	99.93 %

Solvent computation

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

Displacement parameters

B_iso mean: 38.91 Å²

Refinement step

Cycle: LAST / Resolution: 1.91→54.5 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3690	2728	30	597	7045

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.009	6886
X-RAY DIFFRACTION	f_angle_d	0.9134	9947
X-RAY DIFFRACTION	f_chiral_restr	0.0546	1251
X-RAY DIFFRACTION	f_plane_restr	0.0075	805
X-RAY DIFFRACTION	f_dihedral_angle_d	18.3182	3024

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 (%)
1.91-1.94	0.2942	123	0.2371	2812	X-RAY DIFFRACTION	99.93
1.94-1.97	0.2929	152	0.2305	2848	X-RAY DIFFRACTION	100
1.97-2	0.2714	159	0.2268	2733	X-RAY DIFFRACTION	100
2-2.03	0.2813	137	0.2119	2857	X-RAY DIFFRACTION	99.87
2.03-2.07	0.263	153	0.2008	2814	X-RAY DIFFRACTION	99.9
2.07-2.11	0.2382	143	0.1887	2812	X-RAY DIFFRACTION	99.97
2.11-2.15	0.315	143	0.1995	2806	X-RAY DIFFRACTION	99.76
2.15-2.2	0.2292	163	0.1898	2796	X-RAY DIFFRACTION	100
2.2-2.25	0.2699	130	0.191	2813	X-RAY DIFFRACTION	99.97
2.25-2.31	0.2259	143	0.1813	2831	X-RAY DIFFRACTION	99.97
2.31-2.37	0.2711	156	0.1784	2821	X-RAY DIFFRACTION	100
2.37-2.44	0.2437	128	0.1806	2848	X-RAY DIFFRACTION	99.97
2.44-2.52	0.2531	133	0.1864	2842	X-RAY DIFFRACTION	100
2.52-2.61	0.2613	133	0.199	2849	X-RAY DIFFRACTION	100
2.61-2.71	0.2464	142	0.1995	2804	X-RAY DIFFRACTION	99.93
2.71-2.83	0.2767	139	0.1942	2851	X-RAY DIFFRACTION	100
2.83-2.98	0.2196	133	0.1844	2864	X-RAY DIFFRACTION	99.97
2.98-3.17	0.2285	149	0.171	2798	X-RAY DIFFRACTION	99.9
3.17-3.42	0.1976	128	0.16	2880	X-RAY DIFFRACTION	99.93
3.42-3.76	0.1945	162	0.1514	2820	X-RAY DIFFRACTION	99.97
3.76-4.3	0.1771	135	0.1394	2872	X-RAY DIFFRACTION	100
4.3-5.42	0.1655	138	0.1431	2882	X-RAY DIFFRACTION	99.9
5.42-54.5	0.1988	159	0.1806	2941	X-RAY DIFFRACTION	99.55

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	0.00511672584324	0.00452499029063	-0.00554515201054	6.78802998167E-6	-0.00226185197237	0.0102522371723	0.0355816309152	-0.123529709704	0.027652794141	0.0997028298965	-0.0133337089057	0.0307743047575	0.10312013783	0.192335507471	-2.30211402974E-5	0.282297431379	0.00304751607547	0.017118195755	0.364168243647	-0.0230812291676	0.298797605236	-10.6226168301	4.78717501438	16.1392585054
2	0.00178351919174	-0.00174691972203	-0.00032423379322	0.0175386638721	0.0125584953663	0.01164166501	0.0391666850741	0.0556482609246	0.115497515625	-0.0149084903941	-0.0321537755015	-0.0325407385136	-0.27372458045	-0.0153745784792	-2.05159717932E-5	0.270219427225	0.00956982944939	0.0390648918788	0.198294099717	-0.0426300227454	0.333359094202	-27.5690526449	10.8762784971	9.90884312836
3	0.010588251366	0.0189472831777	0.0080047275789	0.0228909512072	0.00645755418579	0.000588966583424	0.0735895807335	0.034111818755	-0.149371493675	-0.1942722453	-0.0539019813384	-0.0750219286291	0.227033394128	-0.125305499276	-2.40303680088E-5	0.391460687186	0.0180218049733	0.00579394095697	0.218401591761	-0.0407230481808	0.346575901593	-26.9848157916	-6.2319519424	8.20517597938
4	0.164420449252	0.0510262164643	-0.116942535118	0.0254248313707	-0.039385650631	0.0825653341767	0.0132857711578	-0.131408013355	-0.233861229047	-0.135430203437	-0.133949218168	-0.138027200849	0.154699751609	0.187454461125	-0.0148306812682	0.283123641293	0.035780834658	0.0445497692221	0.214577211698	0.0176334460455	0.189755014778	-19.963292756	-2.6553962293	13.1944821258
5	0.0589368409748	0.0129994810068	-0.00201287917984	0.0307054394609	-0.0247126443268	0.0149101367015	-0.0520711849204	0.0833072448939	-0.221339672972	-0.326744635944	-0.0812892679114	-0.00299300316011	0.187078071918	0.17684292552	-2.23571973112E-5	0.356809148187	0.0520465499496	0.0720760282004	0.232164843403	-0.036148065764	0.276655053726	-15.8270588326	-1.64177173907	7.98876159689
6	0.0100869950335	-0.0106095676727	0.000825331439655	0.00559171962627	-0.0006109885963	0.0110451924206	-0.123703062277	-0.132224991433	-0.0158933179917	0.129151526933	-0.0148366332337	-0.0669954558944	0.0926427000777	0.0664724755838	-0.000288059012048	0.244588795373	0.00387452390149	0.051365243746	0.247017092077	-0.0325560445309	0.250698258522	-27.4170186738	5.27371199048	19.2629031573
7	0.0461783017373	0.00600809839519	0.0250726576828	0.0354703537075	0.0020479125138	0.0100687386273	0.108866045508	0.0878243299285	-0.078900684348	-0.296009388835	-0.0557151750397	0.0841842809386	-0.0586925496074	-0.389513666515	6.80559866069E-5	0.251147906148	0.0112631184759	0.0221682751668	0.229500682784	-0.0184952742929	0.231756952135	-29.5716301379	0.91966495934	11.8672857519
8	0.0411049193319	0.0155247445514	0.0226490144377	0.330973633512	0.306440724565	0.289420670673	-0.0793132691063	0.260997581696	0.0698010485654	-0.449402337335	-0.0947289446953	0.00352978340479	-0.170835965181	0.288107239527	-0.0754414411534	0.371493010491	0.0106945745825	0.0945240386705	0.292637513632	0.101688436667	0.369514171265	-17.7668755194	9.79035261158	1.76293318686
9	0.0560472353105	-0.0281656833504	0.0147601079245	0.0151756163864	-0.00529341582439	0.00390994810374	0.101976951908	0.114173182159	-0.0896300187764	-0.166381552291	0.127052797933	0.00234966651878	0.0696138560204	-0.0204776745322	0.0206647961432	0.320760629074	0.0747926620114	-0.140123270933	0.490100535426	-0.0188876066698	0.376494584696	-19.1336331574	-10.8531653427	38.5678497997
10	0.0599065029543	-0.0120145952165	-0.0435983312975	0.022957073291	0.0313463988644	0.0476336777256	0.00286420410936	0.0605082999615	0.173579189093	0.103409736301	0.0137875726037	0.0122264617463	-0.211242370909	0.0681205029167	1.74442259437E-5	0.378776984253	-0.000471878636583	-0.0134729414233	0.266907009355	0.0286066342706	0.342739204907	-9.30964954599	-7.77598311586	53.7994654727
11	0.143439925205	-0.0773514780017	-0.00910372704902	0.0867196240705	0.0863871874894	0.123870573856	0.173749472807	0.100881543358	-0.435446042391	-0.150663643036	-0.121443714652	0.266395624745	0.365916583028	-0.0745840584317	2.25409593676E-5	0.36819264821	-0.0282420660919	-0.0272604983242	0.360909873133	-0.0290385017425	0.411570615363	-16.0870415853	-19.0234120545	47.7050255953
12	0.052856813961	0.00486872296483	0.0712716114282	0.1305466481	0.126007393936	0.168176330095	0.0573942900131	0.0964256332592	-0.111006724284	0.0533169954919	-0.0692094919099	0.142832851351	-0.124203232006	-0.134276127581	2.55481143448E-6	0.294167657249	0.0130435402504	-0.000930492350091	0.327760473722	-0.00626607602205	0.328911521456	-13.4455071897	-9.69048234391	52.1482385985
13	0.00734627171218	0.00189947114718	-0.000491571044626	0.00456098078234	0.00492633364447	0.00192277384503	0.178855930652	-0.0810087658114	-0.0360768210114	0.214503161466	0.0969656666056	0.0566861958616	-0.102146924825	-0.0682160812358	5.31917031401E-5	0.381719636875	-0.0606410517446	0.065906506633	0.383864807671	0.039321853313	0.284937689869	2.88733273237	-14.5735357268	28.0677076587
14	0.00287499285441	-0.00782319406138	-0.00883957807755	0.0187133377147	0.0210407776265	0.0182339729272	0.110424594406	0.101875395549	-0.263084101393	-0.0119738338767	0.0820837895479	-0.0207124252454	0.271598305399	0.118332812667	-0.000108947783021	0.336223284435	0.0283184924402	0.0327290583799	0.236743046018	-0.00198417057254	0.312638372428	12.3180667203	-19.4129635555	12.2069341213
15	0.00760737722207	0.00693905801644	-0.00437105643992	0.00656293559251	-0.00267532951497	0.0102480328023	0.0592896541202	0.0617618291774	0.0758315330777	-0.157280061724	-0.0330093281763	0.0384007636592	-0.0136095316537	0.0934322441075	7.47776024194E-5	0.334945116015	0.0228926807924	0.0490663563981	0.265312242456	0.0265848702409	0.334654944376	14.4808014231	-6.86557075921	8.88076986585
16	0.198862001663	0.169703645766	-0.0396665121418	0.182145969829	0.0516260631248	0.111488770339	0.0995031893747	-0.188355346602	0.203820695918	0.296461045399	-0.0261782410983	0.172138840082	-0.33530247804	-0.0503966317872	0.00409334578021	0.282316834271	0.0187868435543	0.0488670339934	0.255316911225	-0.00487235299093	0.252436376538	5.68934618054	-5.42827316618	18.2575947501
17	0.0893355916711	0.100027307694	-0.0493581214019	0.144547883709	0.0333992850723	0.217024525092	0.0708391423162	-0.0279312747659	-0.158646430824	-0.0118359654897	-0.0710465805744	0.0637322161467	0.196045517341	-0.0671752190023	2.592996416E-5	0.248727719989	-0.0127811754325	0.00653194995424	0.276014800095	-0.00442460453278	0.275531480694	8.6768480441	-15.0312031348	13.4249678004
18	0.00320747345914	-0.00138686197262	0.00546170927725	-0.00118189653301	-0.00111962991965	0.00598945948962	-0.0718104633564	0.208863218688	-0.100483132382	-0.0134342738752	0.131845334793	0.0170542432344	0.0511219075658	0.362627088983	-1.80413313113E-5	0.302356467467	-0.0212725652613	-0.00237530718593	0.483626827581	-0.0658965487982	0.451059879398	21.9096163328	1.56700559973	50.8282069487
19	0.0137381971991	0.00690559608626	0.0218463354036	0.0173537974456	0.010536177147	0.0294725416299	-0.0145468540762	0.0364006635704	-0.266976834693	0.125343552664	-0.0148864749204	0.155695360228	0.237168521919	-0.0920716245326	-6.75469822767E-5	0.370129638298	0.0222178872858	0.00744727966051	0.250121434523	-0.070611204367	0.42083576115	5.86004966665	-5.16515977682	56.1010780069
20	0.00612014019228	0.00314316185273	-0.00767380440592	0.00884913267691	-0.000623638656663	0.00757650279559	-0.0953166415608	-0.00882467895809	0.0257882569122	0.0399748344021	-0.065869345247	0.0676637815558	0.00385568436636	-0.111823645867	-2.33273094731E-5	0.409361457276	-0.00244405634336	-0.0362732805954	0.267358949281	-0.0754959948978	0.386789318339	1.06976823939	7.58453492359	57.5766595565
21	0.727472937336	-0.14765792156	0.537823540335	0.0437082469951	-0.129463878902	0.40753294729	-0.246471358148	0.378196040567	0.681550959306	0.120624737217	-0.0577973926022	-0.133910046679	-0.178854995055	0.217712827122	-0.0524097097203	0.321162815962	-0.0616523269171	-0.072901365304	0.246372874253	0.0388203125542	0.436010293146	11.5260375913	10.3670081116	53.7302189456
22	0.00834032264523	0.00870707697272	0.00307413942042	0.00802160070329	-0.0018371896198	0.00653277251009	-0.0436515160475	0.0151731858339	0.206267774529	0.246465386384	0.181745254935	-0.0349530314132	-0.0628856630811	0.107604621929	-0.000111099189092	0.397869019547	-0.0797362890208	-0.0717981653146	0.351066908302	-0.0414934776777	0.517488447522	18.3561077213	12.2587713095	58.7806023887
23	0.127178577625	0.0606629111024	-0.0520862630632	0.111636032526	-0.0815549956621	0.0526531667543	-0.0588375246162	0.21848971352	0.161311836738	0.166075931397	0.0926219038431	0.26508429025	-0.0192153442834	0.0611058678027	-4.38319783272E-5	0.298912227053	-0.0104928442146	-0.0374039223851	0.258841868822	-0.0123557567667	0.276195776661	7.77237175079	3.31169415619	53.4448315561
24	0.0215844070276	-0.0129741509523	0.0209045904273	0.0299379624932	0.0176412211766	0.0413071177156	0.0176743872073	-0.234731303581	0.0154638269099	0.500203525689	0.0266077072526	0.0391967830695	0.247214632042	0.341981503173	-0.00127861243714	0.439389823492	0.0235970175706	-0.118795999375	0.350761122513	0.0304553625276	0.425900359833	14.7210110171	-3.49928227892	64.4942140256
25	0.00519124763422	0.0111435051378	-0.00351389430801	0.0100411185605	-0.00110241504818	0.00167239976417	0.16643260118	-0.020752499733	-0.123025794688	-0.127584671264	0.0799545316224	0.368237089886	0.0225269759947	0.0976590263052	7.2943530061E-5	0.645656638572	-0.140670935521	-0.160314575073	0.487806601111	0.179433855553	1.16739893353	-5.44327858304	-33.4752313888	52.6648769432
26	0.232929842149	0.117120391854	0.14583247121	0.136655468652	0.0458075218431	0.0339110085724	0.358097326642	0.333696407492	-0.162687208802	-0.0737453366821	-0.227589277405	0.0815665316154	0.0971100338122	-0.0120881429682	0.0146438371538	0.315744143403	0.095510811001	-0.0184314706962	0.318747317966	-0.0154845022516	0.260902783214	16.9695198146	-22.7041172802	50.8051127168
27	-0.000180386492573	-0.000650015891309	-0.00173928104318	0.00859602906479	-0.00123345440481	0.00507073118801	-0.0288799797746	0.0564539158489	-0.0874741205164	0.0421500760906	-0.0819829169717	-0.0646716883701	0.0328502795405	-0.00163933356429	0.000282779928973	0.683251425487	0.264411582457	0.00845259135865	0.536011523765	-0.149419711548	0.607124451451	5.06155740309	-28.8176697659	47.104740083
28	0.0130197140602	-0.0159275605997	0.00129654345329	0.00979530866857	-7.72881467962E-5	-0.000617082882103	0.0962346516107	-0.0101170251418	-0.0627220512602	0.109372286972	-0.101458053493	0.211126137872	-0.145771065155	0.0637750128188	1.09574737778E-6	0.687143584983	0.00937800551276	0.0358987521941	0.36925627616	0.0223274079201	0.926454761721	16.1546227522	8.69023725013	12.8513956604
29	0.00611135623148	0.0330938297118	0.0345279300278	0.116808624185	0.110700934697	0.0874685445424	0.133003845177	-0.0335396618756	0.257080511225	-0.0128309532694	-0.153848157618	-0.153002660792	-0.444689422142	0.100115717285	-0.00650508174531	0.285754334811	-0.123429584228	0.0306531473093	0.470048355823	-0.00038641153236	0.341407411821	32.5963712563	0.209185202797	16.2781739347
30	0.023646205798	-0.00653288349708	-0.0580082059003	0.00823216319163	-0.0118578474993	0.0569636138201	0.384094487665	-0.192320379976	0.0313710349436	-0.0423349881943	-0.0171955441868	-0.00453496541323	0.0478669739177	-0.074040790089	-1.88718204666E-5	0.320271573314	-0.0542855254565	0.0384391378416	0.342623767851	0.0513037920749	0.300069272231	48.7961068338	0.837633806035	10.0231546484
31	0.0242243380894	-0.0266649434815	-0.0425309520128	0.145219109017	0.0828637467692	0.0507951794189	0.32311016198	-0.411586217253	0.00994259229086	0.0345444503102	-0.210855580675	-0.0276954373524	-0.152492732192	0.141187728368	0.01971447489	0.257194812423	-0.163312179037	-0.00610928351432	0.423209861792	0.0261698233756	0.261359095204	30.3971801491	-4.27859359315	19.73590299
32	0.0139718383852	-0.00255796375971	-0.0112576320742	0.00816842193521	0.00175079022307	0.00451220731715	-0.046940347931	0.054478749754	0.104423002897	-0.0781224192639	-0.0689135268696	-0.0429808902082	-0.112188937987	0.272440131286	-2.90907402981E-5	0.501858854884	-0.0995838327462	-0.293081972907	0.490124994225	0.0770563076746	0.788010746409	1.37113084807	22.4081157765	53.8335450304
33	0.168748028857	0.0323906255174	0.164944282569	0.0512773860693	0.0529779138954	0.162899585888	-0.0928190534197	0.145205547959	0.205433129906	-0.199643950799	0.103988526448	0.238494478356	-0.0766460534015	-0.130198482752	0.0500223792289	0.374193442692	-0.0421228155554	-0.747847880484	0.445266424072	0.326349947607	0.950822686628	-8.6350325286	13.091138321	39.2696378571
34	0.00379112663491	0.00631335473864	-0.0233445464886	0.00793449800187	-0.038313933935	0.0971758263455	-0.102981657915	0.267115576438	0.142246135363	0.101069945687	0.117758116065	-0.0587224258069	-0.3171105214	-0.40834700787	-4.52159028468E-5	0.378058079581	0.079885593966	0.0248806412284	0.341871899276	0.00984774176464	0.1980059385	-24.5109765001	11.1149601007	35.0021584015
35	0.273392156197	0.115078220069	-0.12344719388	0.022692315915	-0.0564494465846	0.0737847262646	-0.316831380242	0.777360164189	0.527261331472	0.24302330815	-0.122312689502	-0.208951565671	-0.354256174778	0.354601346548	-1.08028801566	0.376579157333	-0.0693476771081	-0.234037685422	0.414783700809	0.260523248726	0.386179063778	-4.26335564607	9.6471404711	38.7737674443
36	0.00311392957131	-0.00582449203539	0.00632782620627	0.00975486103586	0.00147636800567	0.00282940297186	0.0696218473363	-0.152430835278	-0.0378489214631	0.114299934101	-0.0198380518791	-0.11232405183	-0.0584359543667	0.342248221805	3.33406354369E-5	0.59257228188	-0.100548906821	0.13136581393	0.582446782768	-0.168111690188	0.732412591759	-31.6404613769	-17.3086438117	11.7150366479
37	0.0194193518489	0.0296087828227	-0.0236468502963	0.0853828473734	0.0293068558335	0.0480095209877	-0.115041758386	0.0283508484133	-0.33675038054	-0.136661640425	-0.0605504837239	-0.17179447454	0.125961735304	-0.0444898088392	0.000206390554482	0.318462032324	-0.0778441993582	0.0504835664488	0.373864398159	0.082944982013	0.323500048528	-48.7713139602	-5.054284094	30.4927944331
38	0.0639246203276	0.0578515990804	0.0474482995196	0.0847394674429	0.163104020657	0.4372650199	0.266411311111	-0.131886971028	-0.0224585499842	-0.0154615082332	0.0597142936648	0.149962228813	0.413311269008	-0.25141238846	0.0934314398599	0.519037448348	-0.181578190086	-0.104191477963	0.329367213957	0.112843565944	0.323208237671	-59.919873668	-7.12471522181	26.6094982016
39	0.0496608249398	0.0209313740605	-0.0462850443948	0.0344968261057	-0.0814966268732	0.0920290805641	-0.0937312453918	-0.231461738971	-0.245368594124	-0.0641638529141	0.0563861117833	0.116554761896	0.147819024576	0.0741682182161	4.13108743241E-5	0.303335936067	-0.0607242637344	0.0483063520201	0.258953340661	0.0704719440198	0.238410756122	-37.2405369802	-4.31836054167	26.5577665891

Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

ID	Refine TLS-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	chain 'A' and (resid 1 through 12 )	A	A	1 - 12	1 - 12
2	2	chain 'A' and (resid 13 through 29 )	A	A	13 - 29	13 - 31
3	3	chain 'A' and (resid 30 through 44 )	A	A	30 - 44	32 - 50
4	4	chain 'A' and (resid 45 through 63 )	A	A	45 - 63	51 - 69
5	5	chain 'A' and (resid 64 through 82 )	A	A	64 - 82	70 - 88
6	6	chain 'A' and (resid 83 through 89 )	A	A	83 - 89	89 - 95
7	7	chain 'A' and (resid 90 through 104 )	A	A	90 - 104	96 - 110
8	8	chain 'A' and (resid 105 through 123 )	A	A	105 - 123	111 - 129
9	9	chain 'B' and (resid 2 through 12 )	B	B	2 - 12	1 - 11
10	10	chain 'B' and (resid 13 through 35 )	B	B	13 - 35	12 - 36
11	11	chain 'B' and (resid 36 through 82 )	B	B	36 - 82	37 - 83
12	12	chain 'B' and (resid 83 through 123 )	B	B	83 - 123	84 - 126
13	13	chain 'C' and (resid 1 through 12 )	C	D	1 - 12	1 - 12
14	14	chain 'C' and (resid 13 through 29 )	C	D	13 - 29	13 - 29
15	15	chain 'C' and (resid 30 through 35 )	C	D	30 - 35	30 - 35
16	16	chain 'C' and (resid 36 through 82 )	C	D	36 - 82	36 - 86
17	17	chain 'C' and (resid 83 through 123 )	C	D	83 - 123	87 - 129
18	18	chain 'D' and (resid 3 through 12 )	D	E	3 - 12	1 - 10
19	19	chain 'D' and (resid 13 through 29 )	D	E	13 - 29	11 - 31
20	20	chain 'D' and (resid 30 through 35 )	D	E	30 - 35	32 - 37
21	21	chain 'D' and (resid 36 through 63 )	D	E	36 - 63	38 - 65
22	22	chain 'D' and (resid 64 through 73 )	D	E	64 - 73	66 - 75
23	23	chain 'D' and (resid 74 through 104 )	D	E	74 - 104	76 - 108
24	24	chain 'D' and (resid 105 through 123 )	D	E	105 - 123	109 - 127
25	25	chain 'E' and (resid 1 through 5 )	E	F	1 - 5
26	26	chain 'E' and (resid 6 through 30 )	E	F	6 - 30
27	27	chain 'E' and (resid 31 through 32 )	E	F	31 - 32
28	28	chain 'F' and (resid 1 through 5 )	F	H	1 - 5
29	29	chain 'F' and (resid 6 through 10 )	F	H	6 - 10
30	30	chain 'F' and (resid 11 through 20 )	F	H	11 - 20
31	31	chain 'F' and (resid 21 through 31 )	F	H	21 - 31
32	32	chain 'G' and (resid 1 through 5 )	G	J	1 - 5
33	33	chain 'G' and (resid 6 through 10 )	G	J	6 - 10
34	34	chain 'G' and (resid 11 through 20 )	G	J	11 - 20
35	35	chain 'G' and (resid 21 through 32 )	G	J	21 - 32
36	36	chain 'H' and (resid 1 through 5 )	H	L	1 - 5
37	37	chain 'H' and (resid 6 through 15 )	H	L	6 - 15
38	38	chain 'H' and (resid 16 through 20 )	H	L	16 - 20
39	39	chain 'H' and (resid 21 through 32 )	H	L	21 - 32

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