PDB-9c6m: Yasminevirus c12orf29, a 5' to 3' RNA ligase, K73M mutant

ID or keywords:

Entry

Database: PDB / ID: 9c6m

Title

Yasminevirus c12orf29, a 5' to 3' RNA ligase, K73M mutant

Components

RNA ligase1

Keywords

LIGASE / ATP-grasp / T-RNA

Function / homology

Protein of unknown function DUF5565 / Family of unknown function (DUF5565) / RNA ligase (ATP) activity / response to reactive oxygen species / ADENOSINE-5'-TRIPHOSPHATE / Uncharacterized protein

Function and homology information

Biological species

Yasminevirus sp. GU-2018

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.6 Å

Authors

Hu, Y. / Lopez, V.A. / Tagliabracci, V.S. / Tomchick, D.R.

Funding support

United States, 5items

Organization	Grant number	Country
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	DP2GM137419	United States
Robert A. Welch Foundation	I-1911	United States
Robert A. Welch Foundation	I-2088	United States
Robert A. Welch Foundation	I-1961	United States
Howard Hughes Medical Institute (HHMI)		United States

Citation

Journal: To Be Published
Title: Biochemical and structural insights into a 5' to 3' RNA ligase reveal a potential role in tRNA ligation
Authors: Hu, Y. / Lopez, V.A. / Xu, H. / Song, B. / Servage, K.A. / Sakurai, M. / Jones, B.T. / Mendell, J.T. / Wang, T. / Wu, J. / Lambowitz, A.M. / Tomchick, D.R. / Pawlowski, K. / Tagliabracci, V.S.

#1: Journal: Acta Crystallogr D Struct Biol / Year: 2019
Title: Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix.
Authors: Dorothee Liebschner / Pavel V Afonine / Matthew L Baker / Gábor Bunkóczi / Vincent B Chen / Tristan I Croll / Bradley Hintze / Li Wei Hung / Swati Jain / Airlie J McCoy / Nigel W Moriarty ...
Abstract: Diffraction (X-ray, neutron and electron) and electron cryo-microscopy are powerful methods to determine three-dimensional macromolecular structures, which are required to understand biological ...

History

Deposition	Jun 7, 2024	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Oct 2, 2024	Provider: repository / Type: Initial release
Revision 1.1	Oct 30, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	9c6m.cif.gz	1004.2 KB	Display	PDBx/mmCIF format
PDB format	pdb9c6m.ent.gz	706.1 KB	Display	PDB format
PDBx/mmJSON format	9c6m.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	9c6m_validation.pdf.gz	1.9 MB	Display	wwPDB validaton report
Full document	9c6m_full_validation.pdf.gz	1.9 MB	Display
Data in XML	9c6m_validation.xml.gz	58.3 KB	Display
Data in CIF	9c6m_validation.cif.gz	72.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/c6/9c6m ftp://data.pdbj.org/pub/pdb/validation_reports/c6/9c6m	HTTPS FTP

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Related structure data

Related structure data	9c6lC C: citing same article (ref.)
Similar structure data	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

Deposited unit

A: RNA ligase1

B: RNA ligase1

C: RNA ligase1

D: RNA ligase1

E: RNA ligase1

F: RNA ligase1

hetero molecules

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

1

A: RNA ligase1

B: RNA ligase1

C: RNA ligase1

hetero molecules

defined by author
94.5 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

D: RNA ligase1

E: RNA ligase1

F: RNA ligase1

hetero molecules

defined by author
94.5 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	103.401, 86.048, 114.311
Angle α, β, γ (deg.)	90.000, 105.187, 90.000
Int Tables number	4
Space group name H-M	P12₁1
Space group name Hall	P2yb
Symmetry operation	#1: x,y,z #2: -x,y+1/2,-z

#1: Protein	RNA ligase1 Mass: 30996.965 Da / Num. of mol.: 6 / Mutation: K73M Source method: isolated from a genetically manipulated source Details: selenomethionine derivative / Source: (gene. exp.) Yasminevirus sp. GU-2018 / Gene: YASMINEVIRUS_1364 / Plasmid: ppSUMO / Production host: Escherichia coli (E. coli) / Strain (production host): Rosetta D3 / References: UniProt: A0A5K0UB63
#2: Chemical	ChemComp-ATP / ADENOSINE-5'-TRIPHOSPHATE Mass: 507.181 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₁₀H₁₆N₅O₁₃P₃ / Comment: ATP, energy-carrying molecule*YM
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 57 / Source method: isolated from a natural source / Formula: H₂O
Has protein modification	Y

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.64 Å³/Da / Density % sol: 53.39 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6 Details: 1.85 M sodium malonate, 0.1 M Bis-Tris, 25% ethylene glycol

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 19-ID / Wavelength: 0.97891 Å

Detector

Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Dec 2, 2020

Radiation

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

Radiation wavelength

Wavelength: 0.97891 Å / Relative weight: 1

Reflection

Resolution: 2.52→50 Å / Num. obs: 88037 / % possible obs: 94.2 % / Redundancy: 3.6 % / B_iso Wilson estimate: 37.09 Å² / CC_1/2: 0.985 / CC star: 0.996 / R_merge(I) obs: 0.078 / R_pim(I) all: 0.045 / R_rim(I) all: 0.091 / Χ²: 0.805 / Net I/σ(I): 7

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Num. unique obs	CC_1/2	CC star	R_pim(I) all	R_rim(I) all	Χ²	% possible all
2.52-2.56	2.7	0.753	2186	0.573	0.854	0.499	0.908	0.924	68.4
2.56-2.61	2.9	0.708	2477	0.618	0.874	0.456	0.847	0.883	77.1
2.61-2.66	3.1	0.662	2684	0.638	0.883	0.422	0.789	0.918	83.8
2.66-2.71	3.3	0.585	2835	0.756	0.928	0.363	0.692	0.901	89
2.71-2.77	3.4	0.562	3033	0.788	0.939	0.341	0.66	0.912	93
2.77-2.84	3.5	0.491	3060	0.824	0.951	0.295	0.575	0.909	96.4
2.84-2.91	3.6	0.409	3148	0.853	0.959	0.246	0.479	0.875	97.6
2.91-2.99	3.6	0.31	3112	0.906	0.975	0.187	0.364	0.84	97.2
2.99-3.08	3.9	0.279	3211	0.943	0.985	0.158	0.322	0.852	99.2
3.08-3.17	3.9	0.21	3190	0.956	0.989	0.119	0.242	0.846	99.1
3.17-3.29	3.9	0.147	3159	0.977	0.994	0.084	0.17	0.831	98.5
3.29-3.42	3.8	0.118	3185	0.978	0.994	0.068	0.137	0.793	98.8
3.42-3.58	3.7	0.085	3160	0.984	0.996	0.049	0.099	0.779	97.7
3.58-3.76	3.7	0.066	3108	0.988	0.997	0.038	0.076	0.715	97.3
3.76-4	3.9	0.057	3204	0.993	0.998	0.032	0.065	0.727	99.1
4-4.31	3.9	0.051	3222	0.99	0.997	0.028	0.058	0.772	99.2
4.31-4.74	3.7	0.045	3148	0.99	0.997	0.026	0.052	0.708	97.3
4.74-5.43	3.9	0.044	3217	0.989	0.997	0.025	0.051	0.722	98.7
5.43-6.83	3.8	0.042	3217	0.986	0.996	0.024	0.048	0.632	98.8
6.83-50	3.7	0.043	3266	0.987	0.997	0.025	0.05	0.777	97.4

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Processing

Software

Name	Version	Classification
PHENIX	1.21.1_5286	refinement
HKL-3000		data scaling
HKL-3000		data reduction
PHASER		phasing

Refinement

Method to determine structure:

SAD / Resolution: 2.6→43.7 Å / SU ML: 0.3348 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 25.0335
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2352	3370	3.83 %
R_work	0.1948	84667	-
obs	0.1964	88037	75.29 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso mean: 46.71 Å²

Refinement step

Cycle: LAST / Resolution: 2.6→43.7 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	11343	0	186	57	11586

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0026	11788
X-RAY DIFFRACTION	f_angle_d	0.6009	15987
X-RAY DIFFRACTION	f_chiral_restr	0.0518	1753
X-RAY DIFFRACTION	f_plane_restr	0.0046	2037
X-RAY DIFFRACTION	f_dihedral_angle_d	13.6369	4502

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 (%)
2.6-2.64	0.2984	48	0.2791	1147	X-RAY DIFFRACTION	24.67
2.64-2.68	0.3336	53	0.2706	1423	X-RAY DIFFRACTION	30.1
2.68-2.72	0.2693	68	0.276	1598	X-RAY DIFFRACTION	34.49
2.72-2.76	0.3046	73	0.2573	1846	X-RAY DIFFRACTION	39.48
2.76-2.81	0.3088	79	0.2664	2055	X-RAY DIFFRACTION	43.91
2.81-2.86	0.3094	94	0.2628	2311	X-RAY DIFFRACTION	48.89
2.86-2.92	0.2603	99	0.2563	2541	X-RAY DIFFRACTION	54.86
2.92-2.98	0.2922	118	0.2569	2829	X-RAY DIFFRACTION	59.55
2.98-3.04	0.2914	130	0.2668	3218	X-RAY DIFFRACTION	69.07
3.04-3.11	0.3125	142	0.2627	3570	X-RAY DIFFRACTION	76.74
3.11-3.19	0.3242	154	0.2479	3936	X-RAY DIFFRACTION	83.79
3.19-3.28	0.2907	166	0.2248	4114	X-RAY DIFFRACTION	87.72
3.28-3.37	0.2983	165	0.2218	4202	X-RAY DIFFRACTION	90.77
3.37-3.48	0.2757	175	0.2131	4412	X-RAY DIFFRACTION	93.57
3.48-3.61	0.2713	172	0.2069	4408	X-RAY DIFFRACTION	93.81
3.61-3.75	0.2934	178	0.1927	4453	X-RAY DIFFRACTION	94.96
3.75-3.92	0.2034	189	0.1758	4590	X-RAY DIFFRACTION	98.05
3.92-4.13	0.2028	179	0.1593	4611	X-RAY DIFFRACTION	98.2
4.13-4.38	0.207	186	0.1505	4608	X-RAY DIFFRACTION	98.99
4.38-4.72	0.188	183	0.1436	4573	X-RAY DIFFRACTION	97.04
4.72-5.2	0.1641	182	0.1526	4520	X-RAY DIFFRACTION	96.51
5.2-5.95	0.2048	181	0.1803	4614	X-RAY DIFFRACTION	98.93
5.95-7.49	0.2243	181	0.1902	4554	X-RAY DIFFRACTION	96.4
7.49-43.7	0.1887	175	0.1948	4534	X-RAY DIFFRACTION	96.97

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	1.2660589816	0.537250030436	1.30209851672	3.79104790298	-1.17929202362	2.7987325575	-0.0907981399308	0.530132601706	-0.157438451473	-0.475273909065	-0.0334014166794	-0.497170741218	-0.169792177124	0.628155363094	0.0954896737044	0.263728953556	-0.117402221161	0.0574529485671	0.559964277775	0.0297859374092	0.26321569038	-25.3887313985	26.0101064858	-34.6082488856
2	2.13198454344	1.39403705991	0.108414748143	4.44833382517	-0.843981125026	5.33140715805	-0.216340605219	0.329268410253	0.453586393318	0.060170285907	0.218512165733	0.11465727359	-1.11261648004	0.351658198918	-0.00773967747814	0.371790346022	-0.0799966619324	-0.0830722263196	0.371124673101	0.108444853015	0.434930285671	-21.9801986336	37.5308796664	-15.5863285694
3	1.408565061	0.430615936434	1.48764554427	1.56705005594	1.11394139029	4.06099542029	-0.0461809964666	0.208957321411	-0.0452007917668	0.215742427517	0.211840665935	-0.469713177983	0.0433659408929	0.761940528346	-0.160916038278	0.217744058194	0.00135393038477	-0.0337825338413	0.360385717007	0.013720154689	0.298256445151	-17.5938137912	20.9721573841	-11.8992060926
4	0.477400996695	-1.40599696365	-0.850894587488	7.47388900033	-1.44996845068	6.27721195655	-0.0731870606955	0.21850851275	0.180082795101	-1.87804212096	-0.0957531255844	-0.960697989153	0.762104082753	0.714692211157	0.169066338712	0.780037392008	0.0181552674792	0.174617063183	0.825455961804	-0.0294697612718	0.392425479682	-25.5099581628	16.1131415938	-46.5966882973
5	1.86622382428	-0.0354174989927	1.26658238264	2.51030422089	1.10401015174	2.11206579393	-0.115578516208	0.262928603381	0.218755835697	-0.0532109807901	0.099316754306	-0.333676740095	0.15302099965	0.535594770217	0.0566578300482	0.197326035958	0.00605949270353	0.0483811944043	0.363199872678	0.00872876623743	0.186586607945	-29.4036700476	17.0185531058	-25.8201746714
6	3.80627783264	1.04987232486	-0.747843569984	3.83850854936	-2.87082353875	5.28367270768	0.0603092350699	0.0334894207314	0.256096124736	-0.311692574856	0.461464895852	0.953142784184	0.0611026862392	-0.197796430432	-0.536135206061	0.402014860726	-0.19285254797	0.0827300439303	0.374068246714	0.0168017995995	0.595509514371	-60.5714843966	-7.76518745748	-13.7615385131
7	2.86361623627	-0.501615273081	0.730650568564	0.600391473995	0.14872964288	1.58636732945	-0.261894421625	0.0408496766532	-0.336980729168	0.14918451188	0.283834528248	0.670173765636	0.378485203352	-0.230026272785	0.0190389277545	0.390005973522	-0.12834547394	0.00415959001337	0.29636203438	-0.0203649417382	0.463372270446	-55.4607158395	-1.81006286058	-22.5822143947
8	8.52677190577	-0.499412603019	-0.70196509461	4.72128179448	-1.05034282344	3.39114111406	-0.277344418367	-0.00355177931731	0.579226475468	-0.00378638534413	0.423999827697	0.970123748196	-0.393101814219	-1.01816971366	-0.14640017209	0.320146991134	-0.0405242703455	-0.129774905828	0.612417036681	0.0221732491624	0.772354935027	-68.143428265	12.66826489	-24.5986908186
9	1.71748303917	-0.322096941528	0.132063690136	2.39928738277	-0.783863493495	1.68328549901	-0.175771157344	0.197286106779	-0.0957188763014	-0.409568447652	0.216909970545	0.510757181234	0.248117002258	-0.309325311953	0.0496502853418	0.235266296239	-0.08851294889	-0.00362643743577	0.288183806169	0.0246316197483	0.352708930443	-51.0795277699	8.51144391839	-26.7376290387
10	3.83741400783	3.03832713111	1.68956303325	4.94902965516	1.76897461289	0.8179590074	-0.778205965795	0.276154270497	0.0699733522426	-0.406711695067	0.592485552967	0.680793511278	0.660125902891	-0.326775254523	0.0582390337748	0.675479133999	-0.187912749432	0.141124411802	0.336270698644	0.0250914696326	0.406575210384	-51.4020873607	-17.0751193699	-7.79103782285
11	2.31154060646	1.80114596519	0.521287215013	3.41133103607	-0.407391188587	2.24632967985	-0.135331799094	0.122774546885	0.0617960612703	-0.16713510204	-0.00839702412473	0.317251003026	0.43493334779	-0.23523995949	0.113574766022	0.358456677346	-0.0647948830798	0.0846231452966	0.183650945437	0.00319214804029	0.350642626472	-48.6468570331	-1.68230368633	-13.3355069157
12	4.93531184797	1.48257540779	-0.993955818039	4.14507756722	-1.72994851571	3.81693070102	-0.220868026826	-0.616318252146	0.113619922639	0.652433591163	0.105418573167	-0.166140934545	0.572762103566	0.28457042465	-0.00947872090693	0.651502054674	0.0587068593755	-0.161648172921	0.413942299297	-0.0620989734787	0.298847352033	-21.230100883	12.7124841628	14.7247136698
13	7.30097927826	-0.618464568996	1.74184596741	1.5594016626	-2.0791211573	2.89662628531	0.446213366427	-0.444137514172	-1.08481467625	0.325554609661	-0.547265745563	-0.480927414705	1.20761407502	0.804915139436	-0.205501857514	0.896922776651	0.330953651182	-0.227854982177	0.680593995349	0.0630743815888	0.430135571491	-13.0109907094	1.92148927423	16.3979535989
14	1.34001010645	0.365739881463	-1.05489874373	2.9881526233	-0.748394426998	1.3136322842	-0.311649641976	-0.565413441537	-0.272541757947	0.780748014724	-0.0524286236049	-0.00741262176341	1.12170484079	0.313974830816	0.143363465689	1.10743136232	0.0771860984606	0.186243556118	0.437280848586	-0.00449024623016	0.223244403895	-38.3593988046	2.46918663559	15.6415932778
15	4.84531619894	0.566142258782	0.719824451357	2.05785079267	-0.413516278995	2.48188177728	-0.310363066761	-1.02244233929	0.519545195782	1.38888566156	0.0466603135331	0.713390960078	0.599218024533	-0.485328286444	0.0958415545771	1.05529855798	0.129751869528	0.250497821949	0.532538095095	-0.0139663852744	0.348641138565	-45.0262038703	6.07951408415	19.0363188986
16	4.95075370715	0.752706027197	1.36382809744	1.63661953441	-1.01367139484	1.37952177003	-0.151185428319	0.0297302634902	-1.39851474467	0.630060262987	-0.132892852828	0.194135310814	1.00231336614	-0.0355315896295	0.279372260197	0.902488017088	0.0426886345086	0.160980018278	0.209157775088	-0.0151825282065	0.479531910918	-37.6367946099	-8.28114729449	4.8012166551
17	4.50051493147	0.429903273555	0.606642557872	0.430047164127	0.0231819606935	1.62107039699	-0.0962419083424	-0.122145778689	-0.347395120806	0.579983187855	0.214475520081	-0.281848962578	0.553141405238	0.155263799284	-0.0957255376817	0.662752103899	0.14743025766	0.0272542961312	0.261024080087	-0.039298544996	0.297765946133	-30.502499486	2.70435226455	6.53803194325
18	0.508955222128	-0.912756101613	1.6385518483	1.51587037095	-2.73695335444	5.04575322058	-0.246020656005	-0.162601736394	0.0739521611523	0.752590493829	0.167182183894	-0.537580321519	-0.108861511245	0.477360198333	0.0982089445903	0.469668136721	0.18120477473	-0.144253808735	0.514527731337	-0.129959695757	0.304181779701	-10.3424937946	10.1986697844	3.88708490197
19	2.53949211397	0.289779876803	0.91190840394	0.692100418445	-0.865799749013	3.04280771	-0.0504562935596	-0.0237874266225	-0.233110249696	0.795644909341	0.0495379124038	-0.116152903346	0.368868977218	0.169174210636	-0.014111904863	0.475890270991	0.142940552233	-0.0399986692718	0.292863656282	-0.0320360703358	0.257042718718	-25.2842033989	7.51517790536	3.99630930351
20	2.12085244075	2.93650391612	-0.2172849658	4.69711113018	-0.425965438273	2.69605746079	-0.286368622793	0.433582997583	0.221153153725	-0.809637030955	0.222840638711	0.296756992306	-0.539452266702	0.356591472934	0.047877102247	0.453925285937	-0.0284573102103	0.0396099450165	0.386330167267	0.0626514904678	0.231438563955	1.65038338678	7.3246105524	-67.0486416159
21	2.0410247689	0.271616410257	-2.39733437501	5.10870731552	0.256865196035	3.66177412382	-0.0620609721728	1.06553630091	-0.279037855084	-1.70551885053	-0.394951561218	0.132875562666	-0.331447103439	-0.341459229283	0.424525892913	0.654601340874	0.0672227752286	0.00449661788205	0.681372112156	-0.0746782203553	0.250656450485	-8.39764368469	-10.0047279054	-76.3977640759
22	2.44699302195	1.17525377817	0.87248975308	3.57301398827	1.21305055663	3.26573873724	-0.0965993444916	0.283900097102	-0.13679253279	-0.672126427385	-0.0649661518324	0.415849949591	-0.0423150257235	-0.0563465084937	0.135851269191	0.311793241211	0.055827830678	-0.091380218656	0.312601516902	0.00142833425317	0.264741437591	-14.9042022552	-8.05044613856	-64.5885541202
23	2.17722671444	2.01843390478	0.566994238761	3.63828668093	0.0828955542583	0.446811103258	-0.114346922177	0.26350167717	0.260403055692	-0.373388250203	0.100787823605	0.0959233484125	-0.202952314289	0.191058373573	0.0152156555327	0.297492761891	-0.0239846749787	0.0535084065314	0.262486125254	0.0225086860349	0.236726674986	-0.142461358613	5.56803585016	-57.3169075845
24	3.64147520273	0.334574734574	-2.48362092821	2.98573382501	-1.88510074478	2.71869007521	-0.0810777814592	-0.174295218248	0.452404972162	-0.398837537073	0.0354068073424	0.0508756215984	0.106854135083	0.0197638659465	0.0194333580939	0.38236768587	-0.0724027884724	-0.171131461249	0.41503404829	-0.0466258336385	0.361115871723	18.453611476	-7.84589315871	-18.2922947863
25	3.19748319278	0.570224120104	-1.59971291076	1.36915345491	-0.340890706103	3.32478300175	-0.100053534943	-0.257682554428	0.163546436795	0.00249768092224	0.0431468973106	-0.342586325149	-0.157819146553	0.430349028375	0.0642603764595	0.296045441663	-0.108040654472	-0.103502481441	0.289107808224	-0.0249900406362	0.509766495518	23.9880947926	-1.77044621846	-32.9537659438
26	6.54108259552	-3.53597859774	-1.76958390188	7.15235191971	-0.853564529176	9.04901323421	-0.0609393391012	-0.16243083142	0.348817405816	-0.361473980966	-0.0668444266081	-0.410146192164	0.805031462348	0.540101224909	0.163919536559	0.453071978914	-0.042515470914	-0.153558537673	0.401866693576	0.0699913684323	0.662725284585	34.9933250291	-10.312773382	-31.7860238073
27	2.33273312065	-0.10766449234	-0.30275634134	1.72331540778	0.152827854792	3.7131320176	0.00979635846329	0.212590568101	0.282753677477	-0.108315831002	0.0943938714338	-0.373817535581	-0.514214625115	0.549702670773	-0.100545977831	0.303115330057	-0.0937196248923	0.0402706594209	0.259508605781	-0.0207477048575	0.417960482454	17.973728643	2.05712972453	-40.2284143233
28	2.87498249092	0.0190991229801	1.59264112522	2.26074758347	-0.419818628326	5.74955924171	0.0357008533299	-0.33502898165	0.0332392565202	0.270840916989	0.176588434414	-0.377056654525	-0.245951953146	-0.244603572534	-0.241311046521	0.17710437755	0.0449137062755	-0.0201815868693	0.239836909113	-0.0359636460388	0.304231782798	8.19296388053	-5.16264424074	-23.6904815178
29	2.87281432122	0.19662134047	2.25949685	2.88575307777	-2.67160866819	9.25295636448	0.263733423954	-0.0547433736985	-0.160590473458	0.011622907552	0.390006746506	0.572616054387	-0.00322059135647	0.152299999841	-0.68132677069	0.282464522296	-0.0766759038974	-0.0299492301259	0.588466326697	0.157976384602	0.594159965929	-24.297389042	-23.6491870263	-38.1850007962
30	4.45319439777	1.37588967639	-1.38582260183	2.34094018518	-0.0576014872237	0.472582155767	0.0975402666443	0.0567620904557	0.170472159586	0.0873313348893	0.366258340519	1.15645644144	-6.41594814942E-5	-1.09499699227	-0.0779397008849	0.201350450326	-0.157206635801	0.0520557725538	0.983474759582	0.369952163165	0.577733669405	-33.2940771648	-17.612108386	-39.0983739437
31	1.93568381354	-0.0394818289228	-1.59223028308	5.9371428274	-1.53880449771	8.19188137091	0.122248529044	-0.427883051195	-0.537376900936	0.188848555341	0.27665993449	0.268974557393	0.188252573151	-0.970842231194	-0.310888769747	0.256437695155	-0.0913800333303	-0.0579600608028	0.443799922738	0.13440061511	0.346833342659	-12.7355259322	-26.0352018194	-26.435180495
32	5.89208462004	2.54048656964	1.95954438938	1.36710942941	1.22887926107	4.39699795069	-0.151882876336	0.359016395974	-0.640784868727	-0.548776305269	0.574078225947	0.187193981975	0.986796744615	0.0432118852159	-0.114269526826	0.471216180444	-0.313585454916	-0.113148894062	0.332201700865	0.213142766476	0.599552192009	-11.5394907864	-35.6373222552	-29.0829782331
33	2.98437397905	-0.798320340133	1.87859558108	2.70323877344	-1.00359120795	3.45538296823	0.137809595824	-0.589630584337	-0.232433192798	0.617421241756	0.0526729668784	0.00615657281652	-0.141052661963	-0.271069752613	-0.159884202484	0.263366225409	-0.0959107209918	0.0268914975746	0.39738585023	0.03630163069	0.259304791257	-8.98274951873	-16.4477197281	-25.0300469906
34	7.0438635134	3.62011155138	-3.11364282611	4.16818964748	-0.583080381725	1.81778166856	-0.654354403826	-0.509680720161	0.362733958307	-0.0678568263002	0.518467327986	0.478245708472	0.211521877116	-0.723072268181	0.269914404389	0.285493400017	0.0695679083038	0.0727653105521	0.663030992732	0.0975688291288	0.466391638722	-29.1484487236	-9.12648048043	-45.4157418916
35	2.80534942781	1.01073090676	0.370516284748	3.2246027508	-0.630924587412	1.85058656424	0.0948961615092	-0.622722295452	-0.175722882361	0.180807731252	0.112194075154	0.277096504942	0.0433587344648	-0.456509675719	-0.164612030841	0.160643392632	-0.00201918413207	0.00791534623826	0.351868237978	0.0909977013547	0.27832993014	-17.2604056681	-13.8122748117	-39.1824289699

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 16 through 71 )	A	A	16 - 71	1 - 43
2	2	chain 'A' and (resid 72 through 130 )	A	A	72 - 130	44 - 102
3	3	chain 'A' and (resid 131 through 205 )	A	A	131 - 205	103 - 177
4	4	chain 'A' and (resid 206 through 221 )	A	A	206 - 221	178 - 193
5	5	chain 'A' and (resid 222 through 276 )	A	A	222 - 276	194 - 248
6	6	chain 'B' and (resid 14 through 63 )	B	C	14 - 63	1 - 36
7	7	chain 'B' and (resid 64 through 82 )	B	C	64 - 82	37 - 55
8	8	chain 'B' and (resid 83 through 102 )	B	C	83 - 102	56 - 75
9	9	chain 'B' and (resid 103 through 205 )	B	C	103 - 205	76 - 175
10	10	chain 'B' and (resid 206 through 232 )	B	C	206 - 232	176 - 202
11	11	chain 'B' and (resid 233 through 276 )	B	C	233 - 276	203 - 246
12	12	chain 'C' and (resid 16 through 55 )	C	E	16 - 55	1 - 28
13	13	chain 'C' and (resid 56 through 71 )	C	E	56 - 71	29 - 44
14	14	chain 'C' and (resid 72 through 88 )	C	E	72 - 88	45 - 61
15	15	chain 'C' and (resid 89 through 144 )	C	E	89 - 144	62 - 114
16	16	chain 'C' and (resid 145 through 168 )	C	E	145 - 168	115 - 138
17	17	chain 'C' and (resid 169 through 209 )	C	E	169 - 209	139 - 179
18	18	chain 'C' and (resid 210 through 232 )	C	E	210 - 232	180 - 199
19	19	chain 'C' and (resid 233 through 276 )	C	E	233 - 276	200 - 243
20	20	chain 'D' and (resid 16 through 82 )	D	G	16 - 82	1 - 53
21	21	chain 'D' and (resid 83 through 102 )	D	G	83 - 102	54 - 68
22	22	chain 'D' and (resid 103 through 168 )	D	G	103 - 168	69 - 131
23	23	chain 'D' and (resid 169 through 276 )	D	G	169 - 276	132 - 239
24	24	chain 'E' and (resid 16 through 64 )	E	I	16 - 64	1 - 36
25	25	chain 'E' and (resid 65 through 92 )	E	I	65 - 92	37 - 64
26	26	chain 'E' and (resid 93 through 117 )	E	I	93 - 117	65 - 84
27	27	chain 'E' and (resid 118 through 209 )	E	I	118 - 209	85 - 176
28	28	chain 'E' and (resid 210 through 276 )	E	I	210 - 276	177 - 241
29	29	chain 'F' and (resid 16 through 48 )	F	K	16 - 48	1 - 19
30	30	chain 'F' and (resid 49 through 71 )	F	K	49 - 71	20 - 42
31	31	chain 'F' and (resid 72 through 88 )	F	K	72 - 88	43 - 59
32	32	chain 'F' and (resid 89 through 130 )	F	K	89 - 130	60 - 97
33	33	chain 'F' and (resid 131 through 205 )	F	K	131 - 205	98 - 172
34	34	chain 'F' and (resid 206 through 232 )	F	K	206 - 232	173 - 193
35	35	chain 'F' and (resid 233 through 276 )	F	K	233 - 276	194 - 237

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