PDB-7lc0: Structure of D-Glucosaminate-6-phosphate Ammonia-lyase

ID or keywords:

Entry

Database: PDB / ID: 7lc0

Title

Structure of D-Glucosaminate-6-phosphate Ammonia-lyase

Components

Putative selenocysteine synthase (L-seryl-tRNA(Ser) selenium transferase)

Keywords

LYASE / Aminotransferase fold / D-glucosaminate metabolism

Function / homology

Function and homology information

: / L-seryl-tRNA(Sec) selenium transferase activity
Similarity search - Function

Biological species

Salmonella typhimurium (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.6 Å

Authors

Phillips, R.S.

Funding support

United States, 1items

Citation

Journal: Biochemistry / Year: 2021
Title: Structure and Mechanism of d-Glucosaminate-6-phosphate Ammonia-lyase: A Novel Octameric Assembly for a Pyridoxal 5'-Phosphate-Dependent Enzyme, and Unprecedented Stereochemical Inversion in ...
Authors: Phillips, R.S. / Ting, S.C. / Anderson, K.

History

Deposition	Jan 9, 2021	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jun 9, 2021	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	7lc0.cif.gz	1.3 MB	Display	PDBx/mmCIF format
PDB format	pdb7lc0.ent.gz	969.9 KB	Display	PDB format
PDBx/mmJSON format	7lc0.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/lc/7lc0 ftp://data.pdbj.org/pub/pdb/validation_reports/lc/7lc0	HTTPS FTP

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Related structure data

Related structure data	7lceC C: citing same article (ref.)
Similar structure data	7lce-1 3iyh-d 3hu2-d 5dfm-3 3hu1-d 4kln-d 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	#4 - Apr 2000 Collagen similarity (1) #116 - Aug 2009 Sulfotransferases similarity (1)

Deposited unit

A: Putative selenocysteine synthase (L-seryl-tRNA(Ser) selenium transferase)

B: Putative selenocysteine synthase (L-seryl-tRNA(Ser) selenium transferase)

C: Putative selenocysteine synthase (L-seryl-tRNA(Ser) selenium transferase)

D: Putative selenocysteine synthase (L-seryl-tRNA(Ser) selenium transferase)

E: Putative selenocysteine synthase (L-seryl-tRNA(Ser) selenium transferase)

F: Putative selenocysteine synthase (L-seryl-tRNA(Ser) selenium transferase)

G: Putative selenocysteine synthase (L-seryl-tRNA(Ser) selenium transferase)

H: Putative selenocysteine synthase (L-seryl-tRNA(Ser) selenium transferase)

hetero molecules

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

1

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	54.089, 205.572, 164.026
Angle α, β, γ (deg.)	90.000, 95.187, 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

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Protein , 1 types, 8 molecules ABCDEFGH

#1: Protein	Putative selenocysteine synthase (L-seryl-tRNA(Ser) selenium transferase) Mass: 40109.801 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) (bacteria) Strain: LT2 / SGSC1412 / ATCC 700720 / Gene: STM3768 / Production host: Escherichia coli (E. coli) / References: UniProt: Q8ZL27

#1: Protein

Putative selenocysteine synthase (L-seryl-tRNA(Ser) selenium transferase)

Mass: 40109.801 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) (bacteria)
Strain: LT2 / SGSC1412 / ATCC 700720 / Gene: STM3768 / Production host:

Escherichia coli (E. coli) / References: UniProt: Q8ZL27

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Non-polymers , 6 types, 269 molecules

#2: Chemical	ChemComp-DMS / DIMETHYL SULFOXIDE / Dimethyl sulfoxide Mass: 78.133 Da / Num. of mol.: 19 / Source method: obtained synthetically / Formula: C₂H₆OS / Comment: DMSO, precipitant*YM
#3: Chemical	ChemComp-ACY / ACETIC ACID / Acetic acid Mass: 60.052 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C₂H₄O₂
#4: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: Mg
#5: Chemical	ChemComp-CL / CHLORIDE ION / Chloride Mass: 35.453 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cl
#6: Chemical	ChemComp-PEG / DI(HYDROXYETHYL)ETHER / Diethylene glycol Mass: 106.120 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₄H₁₀O₃
#7: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 232 / 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: 2.83 Å³/Da / Density % sol: 56.54 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.5 / Details: 0.1 M MES, pH 6.5, 0.2 M Mg(OAc)2, 16% PEG 8000

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 0.979 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Oct 16, 2020
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.979 Å / Relative weight: 1
Reflection	Resolution: 2.6→53.87 Å / Num. obs: 87468 / % possible obs: 93.3 % / Redundancy: 7.2 % / B_iso Wilson estimate: 55.91 Å² / CC_1/2: 0.997 / CC star: 0.999 / Net I/σ(I): 10.6
Reflection shell	Resolution: 2.6→2.769 Å / Num. unique obs: 4373 / CC_1/2: 0.522

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Processing

Software

Name	Version	Classification
SERGUI		data collection
PHENIX	1.18.2_3874	refinement
XDS		data reduction
Aimless		data scaling
PHASER		phasing

Refinement

Method to determine structure:

SAD / Resolution: 2.6→49.02 Å / SU ML: 0.3298 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 27.163
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2275	1985	2.27 %
R_work	0.193	85464	-
obs	0.1938	87449	80.24 %

Solvent computation

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

Displacement parameters

B_iso mean: 68.63 Å²

Refinement step

Cycle: LAST / Resolution: 2.6→49.02 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	22192	0	115	232	22539

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0014	22606
X-RAY DIFFRACTION	f_angle_d	0.4026	30637
X-RAY DIFFRACTION	f_chiral_restr	0.04	3528
X-RAY DIFFRACTION	f_plane_restr	0.0023	3973
X-RAY DIFFRACTION	f_dihedral_angle_d	14.8129	8107

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 (%)
2.6-2.67	0.4495	9	0.3175	498	X-RAY DIFFRACTION	6.55
2.67-2.74	0.3672	55	0.2942	2453	X-RAY DIFFRACTION	32.18
2.74-2.82	0.329	74	0.2807	3790	X-RAY DIFFRACTION	49.93
2.82-2.91	0.2899	121	0.2713	4867	X-RAY DIFFRACTION	64.41
2.91-3.01	0.3385	149	0.2834	6031	X-RAY DIFFRACTION	78.81
3.01-3.14	0.3149	161	0.2757	7200	X-RAY DIFFRACTION	95.57
3.14-3.28	0.3102	182	0.2374	7504	X-RAY DIFFRACTION	98.78
3.28-3.45	0.2862	167	0.2104	7569	X-RAY DIFFRACTION	99.72
3.45-3.67	0.2585	174	0.1909	7602	X-RAY DIFFRACTION	99.91
3.67-3.95	0.1873	188	0.1644	7590	X-RAY DIFFRACTION	99.9
3.95-4.35	0.1794	178	0.1589	7584	X-RAY DIFFRACTION	99.82
4.35-4.98	0.208	176	0.16	7521	X-RAY DIFFRACTION	98.15
4.98-6.27	0.2063	177	0.1889	7593	X-RAY DIFFRACTION	99.76
6.27-49.02	0.1814	174	0.175	7662	X-RAY DIFFRACTION	99.25

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	3.44198189327	0.0833965647356	0.836155836234	5.22932657722	0.233546184606	0.443342493773	0.113188679902	0.825794581556	-0.637908303304	-0.366260278242	-0.156071602525	0.211884448036	0.537499821407	-0.11324200433	0.0326613852862	0.749823747158	-0.0329325512307	-0.0035834573405	0.631316852815	-0.134131811974	0.247555051581	20.4806047758	70.5107838229	67.1441756076
2	2.39424208798	0.110814410845	0.111884701775	3.17975601357	-1.50288222416	2.17397281526	-0.2701125278	-0.0672173807318	0.107102588418	0.0143106229551	0.139932376233	0.31299258061	-0.137951969908	-0.0606353392466	0.136842323733	0.336585009333	-0.0054327770844	-0.0682163071283	0.274972102183	-0.0656002161901	0.354249544812	4.31532635489	74.3892596082	89.7168329039
3	2.19078944894	-3.94650012942	-1.25420407346	8.73313390259	2.26672433617	0.780014370139	0.128246336987	0.626842751854	-0.91048042538	-0.0609210834996	-0.258860860234	1.30220246941	0.106164029884	0.135712955439	0.297052533289	1.01595974874	-0.190657215414	-0.351764445086	0.789363789552	-0.156785211188	0.910947649254	7.53193834653	63.2978242981	64.9586499992
4	2.91373702062	1.3145157605	-0.826070236992	0.72915926031	-1.0711781558	3.5472609474	-0.396650415286	-0.664595780237	0.0489021352964	0.463691625382	0.268966567014	0.568008831753	1.04866518176	-0.804566885443	0.149456981423	1.14120540127	-0.104985389642	-0.191302219282	0.769384800314	-0.105200315943	1.17995951272	8.24092306013	45.6022203722	70.4045593342
5	3.33240580787	-0.198392488636	0.693299219248	3.99196449468	-1.32072485837	1.55428133265	0.753286650983	0.183254391161	-1.20353269592	0.396131546981	-0.430589844552	-0.149496707142	0.700529693566	0.165858729989	-0.311002239873	1.358234948	-0.0942650986627	-0.223675560084	0.614376723448	-0.163590765312	1.0382288931	21.7438162285	46.8474945299	69.8504371829
6	4.20709519042	-2.06746571309	-2.67263261713	1.2783078975	1.58965991443	4.45840622675	0.112187049429	0.119226143574	0.278915792982	-0.365116065921	-0.147750430107	0.120387618726	-0.245747523582	0.165298848184	0.027083822789	0.564287427689	-0.109153306733	-0.0533749152127	0.240998761284	0.0965323434305	0.352036078397	42.024935724	129.882605179	113.14844586
7	1.78491331707	0.155618421394	0.725410044071	1.8903600748	1.00555637292	1.5770079576	-0.0918888496431	0.064541833913	0.0248433788235	-0.273834058845	-0.0953327761901	0.364456246422	-0.242511262128	-0.225082110391	0.157698949883	0.46582523166	0.0308583906309	-0.163079999084	0.270445013215	0.00772815487631	0.420922047319	18.6646164563	114.131118987	110.368566441
8	7.50860222515	0.320028489663	-5.7731252648	0.46446531703	0.645227082542	5.38302504026	-0.126752059289	1.09412944835	-0.324832461873	-0.118090866602	-0.387839108584	-0.110202329928	-0.348890596217	-0.516231202531	0.378156133704	0.740462093211	-0.0217028687573	-0.178912954842	0.523565042966	0.173781111894	0.483853838768	38.6490894894	131.321320204	95.1714760866
9	4.10272312801	-0.809026885646	-3.75655094632	4.72594985842	3.93510309745	7.8235714477	-0.213749764229	0.405820002583	0.0433408813344	-0.217047971169	-0.182530065793	-0.663229105883	0.997207716123	0.581137743029	0.336240301577	0.759455870338	0.0241839624855	-0.0979439826026	0.603817760743	0.202838767839	0.548815078007	55.5971828396	120.033235634	92.5755843168
10	3.65639110973	-0.000739455577057	-0.518659113728	5.25814101226	2.06584559949	7.89708192097	-0.0964171811177	0.0562569812259	0.0540814781672	0.606016237066	-0.10253347973	-0.242864556703	-0.019324040007	0.863770642488	0.2172634252	0.690525717679	-0.0613702668866	-0.214544008551	0.497229768882	0.220740134995	0.415224945171	52.2272917996	125.097657455	93.9487750315
11	4.46885041214	-2.64817411872	-2.82797008342	1.66166537192	1.77050754178	3.93728981844	-0.0358516817558	0.0240777456222	0.290831096661	-0.0701312042551	-0.060428919876	-0.172689174608	-0.546811863574	0.094527928846	0.0651195337229	0.62357240434	-0.14305336133	-0.131242538923	0.257116593922	0.00397907964289	0.497984695227	32.8523713828	134.600110165	126.085131368
12	1.919649115	0.818353423257	-0.158666354385	1.50227910787	-1.43649132216	2.86163738866	-0.0275826007709	-0.0401011382411	-0.119270386353	-0.0275796201986	0.00856685004318	-0.0283838260102	0.0387280370925	0.126118454668	0.0280261233978	0.275564239551	0.0092959217635	-0.0674037100089	0.245690136568	0.0207779330012	0.271058195026	37.3953921523	107.41097714	131.705193525
13	4.49355821027	-4.24090221386	-4.39316185868	4.29076421158	4.71034841017	7.53518060852	-0.701834028682	-1.13593773283	0.497666008816	0.725179953013	0.547842631843	-0.136387826759	0.593193978882	0.593369352439	0.100267793154	0.763232639932	-0.080775312632	-0.198476835614	0.771360341719	-0.116796301235	0.577296303356	37.1738884122	134.484362297	143.967559694
14	9.06136138363	-0.900078381975	-1.73399040068	4.50868426716	-0.192792530816	4.34600911266	-0.274960369989	-0.89998239002	0.067036674935	0.911456078502	0.0751285834244	0.373889808239	0.275926323096	-0.409947407668	0.272099595005	0.830654926199	-0.101978894493	-0.0382344222232	0.573990222901	-0.158398439434	0.45990679425	20.9689278943	139.835916533	145.990203072
15	4.23221836735	-1.42508563596	3.73145238723	0.471190448681	-0.720719461181	8.51084814441	0.2277932746	0.131261772565	-0.547246276823	0.108102062663	-0.14610330867	0.0613227720371	0.16788436252	-0.523972857347	-0.151056997953	0.467303518392	-0.114524311054	0.0696958521406	0.362464137698	-0.0521441735751	0.517520212859	-7.77621345118	31.0768655952	116.849335271
16	1.66967674808	0.0211487453377	-0.306116580707	2.57868498839	-1.50108446482	2.059081509	-0.024294267135	0.00598605209924	0.0186307242137	-0.0512998674605	-0.0954037965429	-0.19571527637	0.0498441482146	0.249532520478	0.127169425854	0.335715157989	0.0470245740213	0.0912188045766	0.32010088268	-0.0338763496827	0.366188308427	15.0761916436	47.1204610864	114.10772283
17	4.90538095747	0.943076807813	5.45288012975	0.253514297452	0.49165673184	8.79419015493	0.0901727337543	0.630922807066	-0.211424027586	-0.0624028603995	0.0468988938997	-0.00889987515697	-0.00202965603927	0.53198941208	-0.387376134502	0.593125260096	0.0581650387281	0.164079739416	0.396022998308	-0.0588306819525	0.449920539667	0.104183178908	25.5203080925	105.689228095
18	8.15644889503	-6.61033535182	1.39006504753	9.0483849506	-5.08854660671	4.50601265719	-0.323102651095	1.00836496945	0.670034245493	0.164877183405	-0.400834741713	-0.799142513955	-0.618112195119	0.31838799509	0.57064927976	0.599806245131	-0.0154530795758	0.0218429660407	0.666978357084	-0.162989339799	0.422129435628	-6.05933261746	32.4615999375	89.3007204952
19	6.89735691578	1.40153948415	2.4144111055	2.43623627477	-2.16608506295	5.338712308	-0.224998398225	0.737271558743	1.47651867249	-1.05216830914	-0.526932150383	0.77020616662	-1.23610013915	-1.20080556271	0.365278152076	1.14641607402	0.464570005524	-0.152313788443	1.10630634889	-0.242491613888	0.667384275114	-20.6229195867	40.1233548163	91.3034601263
20	4.23346848211	-1.34018714165	0.931664018555	8.30485192348	-2.46630803159	7.22205210137	0.0980090909651	0.228538906985	-0.292329665704	0.287403020283	-0.123665360045	0.0605188712989	0.0165762169697	-0.741390306642	0.0085411857142	0.491505126251	-0.0431586675781	0.0298589334889	0.702827184278	-0.245821295301	0.357820454432	-15.7890479392	33.8222415338	97.0526600296
21	4.78197011413	1.65154694416	0.505923159838	4.98332812353	0.010242039482	0.584516634284	0.0649449649311	-0.764147247322	-0.309826002044	0.874518005164	0.291378579262	0.281054642771	-0.115171644573	-0.273053075237	-0.3683193623	0.710088060462	0.0697370571139	-0.0672892707057	0.660448122177	0.1851526658	0.344107508266	5.64980405356	79.7041382734	176.567753186
22	1.79382712834	0.506818664192	0.729725629736	2.93742499779	1.38446412936	2.34120375162	-0.0900996238536	-0.0417967315975	-0.329805202995	0.154167817448	0.0608243652163	-0.483312874213	0.151309784236	0.0888190426849	-0.00745041645131	0.374618795018	0.0773916974541	-0.0634864581256	0.272589885291	0.0447110366236	0.496396297058	20.6032960356	70.6876028248	154.844965734
23	7.84676014724	6.78880055089	-3.95033315454	6.47370590557	-3.34201246476	1.96023275851	-0.0185689878086	0.243139550872	-0.449343109977	0.596453577905	0.312013032916	0.104960892027	-0.0907250862074	-0.245595770991	-0.1830187823	0.848697175112	0.00834078605548	-0.163764413398	0.699493531889	0.322008063643	0.804063333645	9.89309094577	65.9056135933	179.558057291
24	4.61110178869	-2.64176349719	2.79935252698	7.04788850808	1.62973131988	4.09906929798	-0.889136092249	0.428002188908	-0.229413399293	-0.372347505382	1.21354953035	0.0344364798337	0.355710136931	0.586179161392	0.0259914131554	0.870209501384	-0.174297057651	-0.263255383547	0.658361522769	0.41934540119	0.959354953244	-1.96416807191	53.3740080456	173.880737335
25	5.23953937255	1.10512001123	-0.0560231835731	3.96208751877	1.12417720602	2.01451663431	-0.0390205492476	0.00107539132313	-0.49101868754	-0.473205373088	0.390805730505	0.812730101037	-0.104847414088	-0.445556760068	-0.365100795635	0.716035847235	-0.0440796536065	-0.199222848143	0.687255979912	0.448815783852	1.00845607469	-11.1978331529	62.8612437875	173.54367795
26	6.0272890754	-2.60262373988	3.88760467132	1.6201077688	-0.863535415589	6.98614875992	-0.0468947055105	-0.307864285948	-0.522010482043	0.265031019896	0.0360157751027	0.0760240256345	0.239911097202	-0.190207256378	0.0242530084128	0.537867681581	-0.100192416244	0.0770153181234	0.242806880355	0.0103075941964	0.492553667562	-0.252294748836	29.0109941035	131.271377182
27	1.66291822439	0.893154373745	0.783701443487	1.80809083388	0.387448580551	2.89061963211	-0.137248571411	0.271002742913	0.0354747694892	-0.11852845416	0.0860415054034	0.0286159457603	-0.255750260973	-0.0798349749903	0.0659278515631	0.335074792815	0.056931001836	0.0815507535232	0.337472099326	-0.0222690352029	0.376540523402	-5.0712774847	55.2300952004	126.647771573
28	2.0375448677	0.114716146311	0.386050267481	3.64247857963	3.09562487518	3.62262963166	-0.0218732825703	-0.124617253699	0.118005260215	0.090255187402	-0.200848342566	0.103203528493	-0.0123873302518	-0.45128358899	0.219895573492	0.255839633222	-0.0187802840191	0.0621771119842	0.320764851873	0.0242079488862	0.327163919085	-6.98618248102	57.170718111	134.92710526
29	1.41309089053	-1.50095328042	3.47462978786	2.0302582502	-3.09610882355	9.37432275034	-0.959565113625	-1.25373197849	-0.368306371609	0.723433709916	0.290446233615	0.180274629205	0.537644829858	-0.562060167555	0.0736367226732	1.1170409664	0.145730878045	0.341330060439	1.1240519018	0.174207450796	0.648801056894	-9.73607183101	31.1494912239	142.59951013
30	6.65155923287	0.179969789649	-2.25008370633	1.66721913881	1.28530872867	2.27065009034	-0.831996729107	-2.51930811227	0.793865303383	0.42651809708	0.531495841995	0.510565317009	-1.09455111248	-0.386474538096	0.451887789988	1.74117620575	0.241684323978	0.296544880972	1.72933861574	0.0985633570433	1.34259703546	-1.91232472491	33.3826232519	158.365314689
31	2.69476864186	2.10827457461	0.403913590136	6.11219397925	-0.879442734434	6.1602901483	-0.58467192854	-1.82700369106	0.782369423138	0.85250104313	0.132780706613	-1.20134274083	-0.458032733822	1.45008188753	0.0432471033745	1.12854095409	0.00406552664418	-0.259359226448	1.31573582747	-0.0199507445453	0.767283484739	12.9674749961	30.4237506546	154.586298908
32	6.30300152809	-4.98135221031	0.376062603685	6.92898657295	1.78107366197	3.30348527358	-1.81240491987	-2.74453479317	-0.0788016856026	1.71412843092	1.68574419507	-0.505689160633	-0.530248189864	-0.367393478328	-0.137968898099	1.33027121568	0.29573967513	-0.0536552836075	1.2141113951	0.103473651715	0.714543636088	7.21907494601	28.6679588975	152.837154436
33	4.94987614135	1.40857955576	-1.00052503854	3.87595121609	-0.873060973624	0.348705816847	-0.098458485433	-0.656001510346	0.383559770835	0.803584903954	0.142456783406	-0.370342196562	0.104605183652	0.0477447423036	-0.0617091422087	0.719758431319	0.0693747870342	-0.19572939863	0.613876885148	-0.0356312555654	0.409402264218	18.7927990684	89.9812168017	177.104923403
34	2.12991449467	-0.0315165402411	-0.179621632434	1.98443070038	-1.28868932084	2.76007980862	-0.0967503756699	0.0257893586799	0.0881856071948	0.0964086057924	0.113125541928	0.0860645994729	-0.0210233087483	-0.0355072934308	-0.0339508571744	0.263971778125	0.0456534105373	-0.01919784886	0.212393366748	0.00402257959669	0.277903843628	7.40874599445	96.5011496191	152.368010037
35	7.78120943359	6.38056883601	0.935495953667	6.62873719251	-0.0868045208027	1.8522314149	0.51572906118	-0.863529132092	0.645474733792	0.221070704372	-0.724026885374	0.144700923011	0.367810994787	-0.353446416981	0.248322668501	0.784893122344	0.0832892186229	0.0223060764686	0.61727275988	-0.0186152994381	0.48152532735	7.22132153712	98.0654829575	175.079820709
36	3.20396379721	-2.10934277821	-2.6019638777	1.61927084813	1.17594304444	3.41850338515	-0.676297004289	-0.833733702179	1.34305528716	-0.214849579117	0.888055001929	-1.00487589971	0.271276236469	1.05381867503	-0.179437944637	0.976455258252	0.121434914236	-0.28074742779	0.474953504708	-0.236687095361	1.38631228331	32.4256082645	115.554300175	182.051351611
37	5.62419256737	0.626437677291	-4.04655488086	5.24800391231	-0.833962643311	4.27846755818	0.436703566601	1.45631946553	1.76255428737	-0.276829766908	0.084735260912	-0.188920751428	-0.519267111757	-0.27285872594	-0.508612173983	0.921662027171	0.0057604415512	-0.256421913116	0.740750643748	-0.0630259946545	1.65164568838	30.5562340485	114.612569301	172.051050595
38	6.11545102108	2.52447968527	-1.3002715741	5.5542827952	0.0610632063853	3.13785372268	-0.203063633153	-0.0914754023564	1.1372235152	0.267566723168	0.614630602011	-0.954722158248	0.0531925517147	0.654000356865	-0.231623870363	0.802316183399	0.115742450615	-0.256391755782	0.70437629348	-0.413025144607	1.23677744941	34.8992978552	104.673504856	175.767546864
39	3.99429091539	-2.67104697145	-0.341883499438	6.67180219693	0.303332719605	0.00925038419659	-0.0459599279179	0.630726910103	0.502711629216	-0.396647393049	0.0187361552584	0.0994603115319	-0.183881515778	0.239047593787	0.0360591591261	0.799626260174	-0.145854196548	-0.0933921075108	0.76653852047	0.0218681280306	0.337568049155	17.7952966067	87.0681757966	66.8292466329
40	1.98013838017	0.338089157464	0.401369240895	3.9619539431	1.43123505351	3.56948740046	-0.158757245582	0.0478211322959	-0.0554094867215	0.0817494724161	0.130967753059	-0.284738392922	-0.0313881050122	0.151258713145	0.0401940052585	0.240577302101	-0.00194976369601	-0.0443602709897	0.236567680493	0.00912594383103	0.261766708453	31.6928070453	84.1125569126	90.8453331455
41	0.781913501193	-1.80679268005	0.314312295111	4.8015742093	-0.00155262244801	1.50023413642	0.259612405957	0.697850212835	0.85117344303	-1.34306332035E-5	0.161865304363	-0.208805020437	-0.111174322824	0.47431711232	-0.20191716352	0.761806921106	-0.331882522929	0.117360706639	0.934838223419	0.14183284387	0.921412432505	30.6037205199	94.1611032492	65.7077427986
42	6.7393103433	-5.19789519821	-0.996598431315	4.71528146014	2.21292356998	3.02312932994	0.236229630394	-0.0256701616712	1.44182335574	-0.0132144526177	0.547374926229	-2.2484827692	-0.384885971257	0.450655442934	-0.34549160447	1.23181809831	-0.130549551862	-0.26569477593	0.972318027705	0.510937126095	2.04018743645	28.6673021161	112.128235645	70.7489436107
43	0.625034149006	-1.28635758669	-0.711510704158	6.8107722121	-1.60260361252	3.04503919051	-0.366031347209	0.654502919641	2.15480023237	-0.400519552721	0.396170660151	0.20456305184	-0.833819390844	0.156141817802	-0.0767118517168	0.930407591687	-0.00315112190551	-0.13490591325	0.667915418074	0.268041655284	1.58676812786	14.0632651423	113.052282507	71.3737658197
44	5.60061016244	-4.95063575894	-0.173725825274	9.06100299836	1.09191653314	3.29689617989	-0.318232300544	1.20700457905	2.23611505774	-0.0291441752961	0.190475059037	-0.075603128407	-0.760016119708	-0.179004486959	-0.0266925418283	1.03142789214	-0.0735738629282	-0.0231120517212	0.908667646902	0.551814435649	1.67822499827	17.4051804395	109.30853146	67.8293155439

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 46 )	A	A	1 - 46	1 - 46
2	2	chain 'A' and (resid 47 through 248 )	A	A	47 - 248	47 - 248
3	3	chain 'A' and (resid 249 through 282 )	A	A	249 - 282	249 - 282
4	4	chain 'A' and (resid 283 through 302 )	A	A	283 - 302	283 - 302
5	5	chain 'A' and (resid 303 through 369 )	A	A	303 - 369	303 - 369
6	6	chain 'B' and (resid 1 through 46 )	B	C	1 - 46	1 - 46
7	7	chain 'B' and (resid 47 through 248 )	B	C	47 - 248	47 - 248
8	8	chain 'B' and (resid 249 through 302 )	B	C	249 - 302	249 - 302
9	9	chain 'B' and (resid 303 through 331 )	B	C	303 - 331	303 - 331
10	10	chain 'B' and (resid 332 through 369 )	B	C	332 - 369	332 - 369
11	11	chain 'C' and (resid 1 through 46 )	C	F	1 - 46	1 - 46
12	12	chain 'C' and (resid 47 through 248 )	C	F	47 - 248	47 - 248
13	13	chain 'C' and (resid 249 through 301 )	C	F	249 - 301	249 - 301
14	14	chain 'C' and (resid 302 through 369 )	C	F	302 - 369	302 - 369
15	15	chain 'D' and (resid 1 through 46 )	D	H	1 - 46	1 - 46
16	16	chain 'D' and (resid 47 through 248 )	D	H	47 - 248	47 - 248
17	17	chain 'D' and (resid 249 through 282 )	D	H	249 - 282	249 - 282
18	18	chain 'D' and (resid 283 through 306 )	D	H	283 - 306	283 - 306
19	19	chain 'D' and (resid 307 through 323 )	D	H	307 - 323	307 - 323
20	20	chain 'D' and (resid 324 through 369 )	D	H	324 - 369	324 - 369
21	21	chain 'E' and (resid 1 through 46 )	E	J	1 - 46	1 - 46
22	22	chain 'E' and (resid 47 through 248 )	E	J	47 - 248	47 - 248
23	23	chain 'E' and (resid 249 through 282 )	E	J	249 - 282	249 - 282
24	24	chain 'E' and (resid 283 through 301 )	E	J	283 - 301	283 - 301
25	25	chain 'E' and (resid 302 through 369 )	E	J	302 - 369	302 - 369
26	26	chain 'F' and (resid 1 through 46 )	F	N	1 - 46	1 - 46
27	27	chain 'F' and (resid 47 through 126 )	F	N	47 - 126	47 - 126
28	28	chain 'F' and (resid 127 through 248 )	F	N	127 - 248	127 - 248
29	29	chain 'F' and (resid 249 through 282 )	F	N	249 - 282	249 - 282
30	30	chain 'F' and (resid 283 through 302 )	F	N	283 - 302	283 - 302
31	31	chain 'F' and (resid 303 through 331 )	F	N	303 - 331	303 - 331
32	32	chain 'F' and (resid 332 through 369 )	F	N	332 - 369	332 - 369
33	33	chain 'G' and (resid 1 through 46 )	G	O	1 - 46	1 - 46
34	34	chain 'G' and (resid 47 through 248 )	G	O	47 - 248	47 - 248
35	35	chain 'G' and (resid 249 through 269 )	G	O	249 - 269	249 - 269
36	36	chain 'G' and (resid 270 through 288 )	G	O	270 - 288	270 - 288
37	37	chain 'G' and (resid 289 through 315 )	G	O	289 - 315	289 - 315
38	38	chain 'G' and (resid 316 through 369 )	G	O	316 - 369	316 - 369
39	39	chain 'H' and (resid 1 through 46 )	H	P	1 - 46	1 - 46
40	40	chain 'H' and (resid 47 through 248 )	H	P	47 - 248	47 - 248
41	41	chain 'H' and (resid 249 through 281 )	H	P	249 - 281	249 - 281
42	42	chain 'H' and (resid 282 through 301 )	H	P	282 - 301	282 - 301
43	43	chain 'H' and (resid 302 through 331 )	H	P	302 - 331	302 - 331
44	44	chain 'H' and (resid 332 through 369 )	H	P	332 - 369	332 - 369

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