PDB-8a5v: Crystal structure of the human phosposerine aminotransferase (PSAT)

ID or keywords:

Entry

Database: PDB / ID: 8a5v

Title

Crystal structure of the human phosposerine aminotransferase (PSAT)

Components

(Phosphoserine aminotransferase) x 2

Keywords

TRANSFERASE / PSAT / human

Function / homology

Function and homology information

phosphoserine transaminase / O-phospho-L-serine:2-oxoglutarate aminotransferase activity / Serine metabolism / pyridoxine biosynthetic process / L-serine biosynthetic process / pyridoxal phosphate binding / extracellular exosome / identical protein binding / cytosol / cytoplasm
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.46 Å

Authors

Costanzi, E. / Demitri, N. / Ullah, R. / Marchesan, F. / Peracchi, A. / Zangelmi, E. / Storici, P. / Campanini, B.

Funding support

Italy, 1items

Citation

Journal: Protein Sci. / Year: 2023
Title: L-serine biosynthesis in the human central nervous system: Structure and function of phosphoserine aminotransferase.
Authors: Marchesani, F. / Zangelmi, E. / Murtas, G. / Costanzi, E. / Ullah, R. / Peracchi, A. / Bruno, S. / Pollegioni, L. / Mozzarelli, A. / Storici, P. / Campanini, B.

History

Deposition	Jun 16, 2022	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Mar 29, 2023	Provider: repository / Type: Initial release
Revision 1.1	Apr 12, 2023	Group: Database references / Category: citation / Item: _citation.journal_volume / _citation.title
Revision 1.2	Feb 7, 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	8a5v.cif.gz	1.2 MB	Display	PDBx/mmCIF format
PDB format	pdb8a5v.ent.gz	939.6 KB	Display	PDB format
PDBx/mmJSON format	8a5v.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/a5/8a5v ftp://data.pdbj.org/pub/pdb/validation_reports/a5/8a5v	HTTPS FTP

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Related structure data

Related structure data	8a5wC 3e77S S: Starting model for refinement 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

D: Phosphoserine aminotransferase

E: Phosphoserine aminotransferase

C: Phosphoserine aminotransferase

B: Phosphoserine aminotransferase

F: Phosphoserine aminotransferase

A: Phosphoserine aminotransferase

G: Phosphoserine aminotransferase

H: Phosphoserine aminotransferase

hetero molecules

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

1

D: Phosphoserine aminotransferase

C: Phosphoserine aminotransferase

hetero molecules

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

2

E: Phosphoserine aminotransferase

F: Phosphoserine aminotransferase

hetero molecules

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

3

B: Phosphoserine aminotransferase

A: Phosphoserine aminotransferase

hetero molecules

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

4

G: Phosphoserine aminotransferase

H: Phosphoserine aminotransferase

hetero molecules

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

Unit cell

Length a, b, c (Å)	65.870, 206.268, 135.539
Angle α, β, γ (deg.)	90.000, 98.004, 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	Phosphoserine aminotransferase / Phosphohydroxythreonine aminotransferase / PSAT Mass: 43133.367 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: PSAT1, PSA / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q9Y617, phosphoserine transaminase
#2: Protein	Phosphoserine aminotransferase / Phosphohydroxythreonine aminotransferase / PSAT Mass: 42905.250 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: PSAT1, PSA / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q9Y617, phosphoserine transaminase
#3: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: SO₄
#4: Chemical	ChemComp-PMP / 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE / PYRIDOXAMINE-5'-PHOSPHATE Mass: 248.173 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₈H₁₃N₂O₅P / Feature type: SUBJECT OF INVESTIGATION
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 430 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	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: 2.84 Å³/Da / Density % sol: 56.75 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop Details: 0.2 M Na2SO4 , 0.1 M Bis Tris Propane, pH 6,5 / 7,5, 20 % PEG 3350

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: ELETTRA / Beamline: 11.2C / Wavelength: 1 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Aug 7, 2020
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.46→81.779 Å / Num. obs: 84262 / % possible obs: 93.1 % / Redundancy: 6.8 % / B_iso Wilson estimate: 43.93 Å² / CC_1/2: 0.996 / R_merge(I) obs: 0.15 / Net I/σ(I): 12.5
Reflection shell	Resolution: 2.46→2.78 Å / Num. unique obs: 4214 / CC_1/2: 0.599

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Processing

Software

Name	Version	Classification
PHENIX	1.19.2_4158	refinement
PHENIX	1.19.2_4158	refinement
autoPROC		data reduction
STARANISO		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Starting model: 3.0E+77 / Resolution: 2.46→48.14 Å / SU ML: 0.2352 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 24.5043
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2105	4117	4.89 %
R_work	0.1786	80112	-
obs	0.1802	84229	65.15 %

Solvent computation

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

Displacement parameters

B_iso mean: 46.4 Å²

Refinement step

Cycle: LAST / Resolution: 2.46→48.14 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	22525	0	72	430	23027

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0066	23059
X-RAY DIFFRACTION	f_angle_d	0.7295	31244
X-RAY DIFFRACTION	f_chiral_restr	0.0486	3497
X-RAY DIFFRACTION	f_plane_restr	0.0041	4006
X-RAY DIFFRACTION	f_dihedral_angle_d	12.9796	8436

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 (%)
2.46-2.49	0.1878	4	0.333	104	X-RAY DIFFRACTION	2.47
2.49-2.52	0.4734	6	0.2736	182	X-RAY DIFFRACTION	4.21
2.52-2.55	0.3807	11	0.3052	232	X-RAY DIFFRACTION	5.53
2.55-2.59	0.3765	12	0.3401	302	X-RAY DIFFRACTION	7.17
2.59-2.62	0.2935	20	0.3114	393	X-RAY DIFFRACTION	9.25
2.62-2.66	0.2838	22	0.3016	534	X-RAY DIFFRACTION	12.55
2.66-2.7	0.3727	29	0.3326	519	X-RAY DIFFRACTION	12.38
2.7-2.74	0.4216	44	0.2966	897	X-RAY DIFFRACTION	20.87
2.74-2.79	0.2985	65	0.2907	1158	X-RAY DIFFRACTION	27.85
2.79-2.83	0.3604	68	0.2815	1454	X-RAY DIFFRACTION	34.33
2.83-2.88	0.3122	101	0.277	1781	X-RAY DIFFRACTION	41.99
2.88-2.94	0.2871	111	0.2821	2337	X-RAY DIFFRACTION	55.71
2.94-3	0.3091	161	0.2836	3216	X-RAY DIFFRACTION	75.21
3-3.07	0.3193	186	0.2685	3859	X-RAY DIFFRACTION	91.7
3.07-3.14	0.2862	219	0.2662	4254	X-RAY DIFFRACTION	99.11
3.14-3.22	0.2695	216	0.2426	4179	X-RAY DIFFRACTION	99.95
3.22-3.3	0.2572	185	0.2278	4328	X-RAY DIFFRACTION	99.96
3.3-3.4	0.2642	222	0.2201	4163	X-RAY DIFFRACTION	99.98
3.4-3.51	0.2367	205	0.2057	3750	X-RAY DIFFRACTION	88.68
3.51-3.63	0.2207	213	0.1771	4263	X-RAY DIFFRACTION	99.96
3.63-3.78	0.1968	250	0.1636	4179	X-RAY DIFFRACTION	99.98
3.78-3.95	0.1995	220	0.1566	4259	X-RAY DIFFRACTION	99.98
3.95-4.16	0.1862	189	0.1472	4273	X-RAY DIFFRACTION	99.98
4.16-4.42	0.1608	221	0.1328	4243	X-RAY DIFFRACTION	100
4.42-4.76	0.1549	240	0.1295	4215	X-RAY DIFFRACTION	99.96
4.76-5.24	0.1798	215	0.1343	4249	X-RAY DIFFRACTION	100
5.24-6	0.1956	216	0.1598	4291	X-RAY DIFFRACTION	99.98
6-7.55	0.1865	231	0.1647	4239	X-RAY DIFFRACTION	99.96
7.55-48.14	0.1598	235	0.1389	4259	X-RAY DIFFRACTION	98.96

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	2.44760834396	-1.85497648291	0.890849768855	2.78954326077	-1.24939249058	3.05713164304	-0.0135904910686	-0.179367867531	-0.253328424038	-0.180540111059	-0.0692977471163	0.149016536288	0.437583612991	-0.0284290632484	0.0733145765953	0.360336326284	0.0888253082063	0.0764201800078	0.142829817421	-0.00193518944377	0.31611190177	-6.06491103973	-36.6598928234	-50.9751408243
2	1.07191796744	0.0179186816972	-0.0617461428763	1.13098969884	-0.232437962892	1.34137027293	-0.0850546541286	-0.0340824922404	0.377326729884	-0.210411101208	-0.0777237998045	-0.116368849552	-0.0957242488731	0.253921866649	0.0985581421543	0.284516290641	0.0301033795851	0.0253178919826	0.102601261547	-0.034666551183	0.392621181896	3.0081544323	-16.7575101975	-55.3545799803
3	1.56937011205	0.53211709653	0.22289332962	2.18568128401	-0.214845242194	2.083033857	-0.0333285696925	-0.0466370379989	0.35095757515	-0.215213546292	0.0272904036236	0.60294053542	0.097106837011	-0.413800120424	0.064869744622	0.271074162575	0.0115096355585	-0.0189090901266	0.20769545575	-0.063747791219	0.46185522984	-21.6782288933	-27.1296579759	-62.493520167
4	1.62099341539	0.697279888117	-0.277202019376	0.703462308136	0.182084780052	0.272467595517	0.0561235021325	-0.290086292322	0.190333524384	0.159706553564	-0.022441934351	-0.107206827525	-0.00652982960253	0.0849966590126	-0.014785349534	0.396994111951	0.0973923139412	0.125872416998	0.202433179577	-0.0605688331167	0.325546478778	-2.46700378269	-54.5418501928	-65.1061405391
5	1.70051575412	0.323593263633	0.0107703035034	1.43673187877	-0.0883789481293	1.78062684747	-0.105407498901	0.466497817862	0.100869406141	-0.285639173619	0.133450878197	0.160114801155	-0.00774585307419	-0.120824075448	-0.0116096477078	0.32482752318	0.0211338790495	0.0266665318966	0.231482705141	-0.0571156536342	0.177266333291	-12.2694492621	-55.881545021	-88.7300601353
6	2.77636243755	0.911090617472	0.465460556017	1.40927381703	0.14628028707	1.27923489899	-0.0398841165346	0.25310821657	0.168288493362	-0.0216530248686	0.0119274818467	-0.232391679029	-0.132233556139	0.383466354147	-0.0237435098468	0.432809081095	0.0202250104534	0.0933544633923	0.176832749968	-0.0651114834531	0.266087997563	7.31000641186	-45.866774903	-75.5844416912
7	3.78574063231	0.677455854139	1.98445217976	1.96550144542	0.126572488199	3.71798178404	0.00625718877511	-0.519060776919	-0.359071250651	-0.0634718109494	0.0843699342931	-0.0306437605477	0.227609986201	0.121525945216	-0.0819421922515	0.198208829295	0.0388782937012	0.0895037087321	0.281127690235	-0.0117055998812	0.184600564825	-2.68561227557	-35.7043657299	-36.730706317
8	0.55455660163	-0.32484796814	-0.0196087276289	1.44871856372	-0.232672536584	1.4791216236	-0.0611774821976	-0.717469060575	0.506693468683	0.345330979518	-0.033660328967	-0.0129857623537	-0.501721498304	0.0637196749803	0.0398657068198	0.379275686822	0.00122613028381	-0.00587463795895	0.486543296416	-0.281072350442	0.420515536923	0.963328331779	-13.210835477	-26.5151515845
9	2.2028111054	-0.110851245512	1.11505705941	3.12739035616	-0.213440125079	1.82935765147	0.0140174570626	-0.516103297893	0.218204924512	0.0744001999359	-0.116625068327	-0.701846004488	-0.052979909822	0.520286579891	0.110670552643	0.259811000258	-0.0107401588346	-0.0247564378598	0.864941110639	0.0114559297083	0.381572618046	19.2327070384	-29.8573056792	-18.3396947137
10	6.52177830847	1.24493371578	-0.693790563503	4.09555033811	0.751307575563	0.457246130778	0.142119576374	-0.120904401713	-0.543454889104	0.283802899099	0.00312465131429	-0.734383458994	0.0439817916184	0.358836744531	-0.170003988853	0.265994320698	0.0857470059175	-0.0103424457425	0.964678316866	0.145506894527	0.416762101801	22.5415317227	-39.9701494069	-15.6577211559
11	2.23186582784	-1.03599065452	0.465108755391	1.15883973916	-0.186426071266	0.0975028777622	0.031072132131	0.159943730462	-0.0389729496368	-0.060564848408	-0.201534454477	-0.303006745787	-0.0797049153903	0.150204906763	0.147110625372	0.220292343583	-0.00945133941391	0.00586254643277	0.970697774044	0.118420377764	0.32406925325	14.3182120495	-58.7368188478	-7.85000521525
12	0.158551785459	0.0802907252421	-0.0448367436281	1.41197455859	-0.607906515615	0.263999518023	0.0207219747402	-0.300021674649	0.0745731898734	0.327327290478	0.00163702567453	-0.169978826161	-0.240631581115	0.158236152379	-0.00689897060167	0.235749842018	-0.112115742015	-0.037204674066	0.978627944015	0.0359623113476	0.231906438383	7.16658636049	-50.8950832196	13.0718628577
13	0.3339105721	0.150526677092	0.36552522994	0.676413026947	-0.553996700613	1.76175339444	-0.0275475789785	0.0399164126496	0.0771005516889	0.35727318568	0.0433879688884	0.293710287982	-0.28440796487	-0.209163828753	-0.128366370396	0.373197479537	0.0123547565756	0.156306150509	0.957136143522	0.0442750353121	0.222042173503	-11.1360228557	-47.2571189354	14.0833093061
14	1.00124336884	-0.544728454214	-0.865289652451	2.14000298652	-0.149577908742	2.31299140179	0.131084980649	-0.11421595268	0.0716556914971	0.323324685594	-0.23189317129	-0.0798630655504	-0.276377824535	0.177452640427	0.0761440354909	0.292479717411	-0.0587571978681	0.0368240005882	0.8706384785	-0.00738410964309	0.223363308623	2.99205072601	-46.5003720582	9.97166487337
15	1.48219312381	0.141029424684	1.0680557345	3.28280078897	1.3441795869	1.24078687577	-0.0750890081146	-0.273071161297	-0.0171642116339	0.711844228436	-0.0221789523972	-0.0805302979211	-0.11947895815	0.214383338457	0.0364637521265	0.453396346232	-0.0113223022965	-0.0336753657855	1.05647935717	0.123571627021	0.24326281201	8.25053188518	-58.2053768357	22.2144387555
16	0.663941551805	-0.71323985543	0.434089760457	0.886465982079	-0.573846651348	0.376985227318	-0.0291431469107	-0.0200438807329	0.11239594444	0.0818972308285	-0.137027180947	-0.248518373564	-0.0500059047776	0.145869200868	0.153019323061	0.192471557289	-0.0102209919799	-0.0228238717169	0.915886396424	0.00975398735905	0.249336297511	14.1741065782	-53.960955837	1.47448037346
17	7.26035549225	2.62261252551	-0.177104859421	1.06813986813	-0.137861684231	0.0495045083003	0.215493976766	-0.237842910722	0.821798221725	0.0397613706983	-0.205587208556	0.206490250873	-0.12134518576	-0.136322814805	0.00272484270827	0.208255804614	0.0728198891455	0.0489165195497	0.826781197639	0.033367803004	0.265073246872	-5.30818107467	-38.527545892	-8.55534340744
18	3.72704132832	-0.211232104498	0.636921631819	1.91858743226	0.759684218721	0.629691733272	-0.0700226028128	-0.13425839354	0.239885496434	0.124159496612	-0.224226501852	0.420633110191	0.0397805338684	-0.479456030565	0.284709905883	0.244081188435	0.0552476212112	0.0487966645785	0.999904320265	0.0453771785359	0.358854736288	-18.2338224206	-44.5605174601	-6.93699186018
19	5.22629218635	0.830506523329	1.17762157418	3.48176336326	1.25211839525	1.81030872143	0.0471871358447	0.0136508593407	-0.338521375944	-0.332997401865	-0.0826448946989	0.478214649531	0.307820429189	-0.237811676566	-0.00769537072487	0.310200221501	-0.00232826889702	-0.0823562214699	0.846205625993	0.097792983303	0.263190110748	-11.9489221007	-54.8096789456	-12.4307243601
20	5.33670295343	1.76897331747	1.54204244533	6.58893504231	1.48165708205	3.80010777163	-0.0274953336676	0.917062715705	0.138485406591	-0.45817039126	0.0603864686027	0.531864511001	-0.00662847181902	-0.0630668137053	-0.0197991348924	0.270025491383	0.0151153851244	-0.0197312747563	0.841671889108	0.123482999117	0.291155302093	-13.4763159209	-45.8772140308	-20.3765559643
21	1.47776506641	1.536324613	0.849264804909	3.0496127983	0.201455257698	1.17331118052	-0.0101362158875	-0.178813122688	-0.139241743229	0.0265467707948	-0.110450297525	-0.0961375707539	0.025383640498	0.0742753602952	0.0599358103495	0.326245734277	0.102651988495	0.0629195601589	0.146127836312	-0.0830559354006	0.299109195913	-7.2874650047	-68.6730701898	-63.6867099299
22	0.426127360971	0.0128722822756	-0.114792226602	0.570762275296	-0.0252555906357	0.542833217672	-0.207744011376	0.371366576746	-0.447788959402	-0.416680088824	0.064033462378	-0.162518396812	0.465670799446	0.0582304519119	-0.222479404225	0.651423916588	-0.00353647250567	0.224434673289	0.141787714475	-0.354851793594	0.370803743573	-10.5033109629	-83.2258232674	-83.6756608141
23	1.64838807472	-0.279369459774	0.00451462283362	0.148285550092	0.128742007577	0.615638363785	0.0401721726999	0.106336000045	-0.477529965548	-0.0260804232985	-0.119476099709	0.0286558988703	0.367928756113	-0.0456625682339	0.0348040360673	0.448937616734	0.0194413445927	0.0884458912934	0.116020886755	-0.0801075044568	0.510699185024	-20.683475614	-93.3908708236	-63.8932053423
24	3.50615879881	0.461373516912	1.09642472328	2.01894321919	-0.825552510775	1.27877421479	-0.157608051068	0.0638362672583	0.0565051879802	-0.233702982489	0.105018190371	0.271928775858	0.0124384066673	-0.203561257033	0.0308175419361	0.421377699772	0.0103119794848	0.0608411692853	0.152747704901	-0.0896866678647	0.356165130555	-32.5216365536	-85.0177523682	-67.4748386109
25	5.67109844561	-1.026111849	0.0476497759459	5.11655810654	-0.497510568202	2.15455686456	0.12728912621	-0.257683720485	0.193547222286	0.452655369987	-0.11695940087	0.725966481657	0.0350046307433	-0.280548004133	0.00425006228073	0.494352198446	-0.0184615904115	0.0645913221181	0.104448718203	-0.050300222792	0.407739391685	-33.7174362562	-87.3127522158	-56.4528206089
26	2.25462140009	-0.433718401591	1.3446971223	2.35744700095	-0.919496273236	2.31275618197	0.0967102437867	0.363296348547	0.0341517367287	-0.0756490565298	-0.114436444393	-0.586151611232	0.073324974486	0.13133950182	0.0668165872576	0.259468776602	0.0159414466508	0.0376550388831	0.900772064733	0.0607038968246	0.430448232934	21.4782215612	-71.5290767353	-6.71154498729
27	0.856192814416	-0.382394939454	0.312699616664	1.06645841581	0.065583983598	0.610189639545	0.00356490066703	-0.267303534739	-0.18002444138	0.312861920317	-0.0103800724226	0.0239808957029	0.123427494166	-0.053854317312	-0.0483806548101	0.215178568903	-0.0136099562765	-0.0920532689109	1.08658056773	0.163938209123	0.220208876279	8.82389397799	-78.1762371479	10.3480092709
28	1.95138293828	0.0227584880582	0.715624285249	1.27475424464	0.27125449873	0.515397117103	0.040569489524	-0.189889301136	0.166621384739	0.173716213609	-0.0243852275263	-0.709864750237	0.00188621844234	0.260201795626	-0.0590513237532	0.189527510617	0.0174205170156	-0.133353328695	1.18305810662	0.114314405104	0.70774292048	36.4310475002	-78.0097077651	7.63183403786
29	2.36201099647	-1.35333820949	-1.77491741136	1.08901755739	0.30338044081	3.19516817998	-0.0404815654886	-0.152626555686	0.192100816286	0.102624618894	0.192534471123	-0.120977507159	-0.0477925281817	0.17991891383	-0.16197646894	0.36426881974	0.125917878497	-0.0246199304502	0.154967985515	-0.0196454416109	0.422224929663	-18.1867270471	-89.1215605864	-40.0556891243
30	0.437138023927	-0.164057628022	-0.242140712639	0.962006576315	0.259252607389	0.711362375346	-0.124279052476	-0.15672663468	-0.452430381511	-0.158187331236	0.127308761531	0.0694122118373	0.416189514383	0.0570048663937	-0.0136727996739	0.53113162355	0.0713487807541	-0.0642941984978	0.264572803481	0.106776874019	0.661630504845	-27.016687935	-107.859566248	-37.7016849871
31	0.277003445671	-0.179459476518	0.246325095926	0.564510667117	-0.214074648134	0.372484959046	0.0507985242026	-0.00942120407929	-0.497189060131	-0.174714176679	-0.038497212903	-0.275419965701	0.40765366488	0.195760900424	-0.0713699442238	0.788854276254	0.329250941206	0.133581511231	0.325278282766	0.120007745564	0.982502682873	-2.52728630557	-118.212894022	-42.4679026527
32	0.410830934966	-0.0980733297505	0.064662440174	0.10384663489	0.154602498361	0.365068881231	0.013454382452	-0.150679734291	-0.486368684396	-0.165073168011	0.104389233457	-0.118828457325	0.564793975693	0.0650680297299	-0.0319290436087	0.649837134733	0.134864265014	0.0275234218991	0.132695295423	0.138676825979	0.744069822097	-20.9260105727	-110.670835825	-39.6899469652
33	3.70345507703	0.815956630044	0.515223660118	2.68273520071	0.204736182081	2.97937436989	-0.0225850097999	-0.182306818553	-0.235476981457	-0.0338789353722	-0.0757132355411	-0.485491354939	0.202740328639	0.597412672727	0.0506859655111	0.364915645919	0.109056857528	0.0818894633579	0.281981890759	0.0337996300009	0.552398659219	0.896937842618	-93.4745890483	-46.2950596103
34	3.51070263881	2.5723853247	4.95989628692	6.78893615103	1.13356729025	8.81129601345	-0.069121921518	0.477674641435	1.36951471308	-0.296513821035	-0.0168014044649	-0.567568489618	-0.665678568573	0.662947283801	0.114896113012	0.363159925083	0.0444972453723	0.118144520928	0.254615135469	0.0367098455321	0.552088002851	2.27015371871	-83.1798649634	-49.6571854536
35	1.12709372673	0.179541055468	-0.426954180055	1.98505323418	-0.762097883775	1.73616353453	-0.0294536209785	-0.617263142028	-0.0759834885279	-0.114976456396	0.0618801481869	-0.230426342399	0.0882403174757	0.0665427701563	-0.0349530626792	0.27503863589	0.0731145798518	-0.0666586182023	0.340771976795	0.0409074481205	0.34206991979	-25.0256730886	-90.1002447975	-27.1124675861
36	0.519427185111	-0.514392560266	0.111712083749	1.21334262854	-0.500606774541	0.994688948193	-0.104367914012	-0.625713187263	-0.385431872364	0.25538323199	0.045329893061	-0.23907230543	0.350714936103	0.159823064233	0.0175980773575	0.419425409026	0.163237735984	-0.114295403189	0.774043838733	0.328469772813	0.670656667075	-16.556131991	-107.64440038	-14.0590782064
37	0.102721842584	-0.0874910547938	0.00304580005639	0.610954544527	-0.212239630085	0.243077198722	-0.0411590948626	-0.352279163002	-0.360696004417	0.0808078451618	-0.0463493215652	-0.141826686329	0.411272742839	0.139180364887	-0.234198342514	0.655905533718	0.147131540002	-0.0880279112766	0.842173142928	0.652249320536	0.827928963213	-28.3567446623	-117.153234176	-7.7611121818
38	1.10729259133	0.246968368241	0.00176686277359	0.249662260709	0.24514549215	0.308093708086	-0.167891998105	-0.36895178254	-0.100888975534	0.311483056525	-0.0586930548247	-0.39522362523	0.0640348242933	0.342677508237	0.187479465954	0.387511981335	0.0890326239271	-0.157594116339	0.62578277265	0.368159120333	0.621424036717	-20.8075739278	-106.657664601	-13.2264623957
39	1.83897414288	0.976774808007	1.51664436207	1.33682923219	-0.431979300869	3.12181967185	0.0967012817873	-0.290818601884	-0.336419991565	0.134716959995	0.0937914648943	-0.259435447249	0.621861142355	0.270137289522	-0.155465486912	0.485175614484	0.227729463326	-0.0161531642488	0.652493335705	0.343839381265	0.819412572213	-8.93204527964	-114.910199638	-19.2056704768
40	1.01334105079	-0.119841585872	0.345307465002	0.412894006462	-0.220294821526	0.966178633285	-0.0463581841335	-0.558853926926	-0.000456362329154	0.122631309084	0.0503978670115	-0.233698064885	0.182655348224	0.170566975934	-0.0557766402268	0.262951641735	0.093763217289	-0.0457869909486	0.480810448577	0.169518003839	0.54002134806	-19.1843525089	-95.4815975649	-20.4333092041
41	2.48309140164	1.30972216138	-0.716840298361	3.26853647083	0.694610253758	2.3425708821	-0.00428425824891	-0.498408693003	-0.537782203494	0.18125433302	-0.072218849394	0.0979019598533	0.448992575688	-0.256318319975	0.00800448324948	0.314009449631	-0.00140337282805	-0.0538368862604	0.582156389095	0.230369307127	0.464946573469	-46.6835208581	-104.273639029	-13.4588383678
42	6.26833195682	2.48326823856	-0.448955043155	4.28104092235	0.761379988275	3.55500489504	0.0465237595741	-0.341181602239	0.24429233017	0.0682674319697	-0.0610503085321	0.79955060335	0.0081866804809	-0.637448509509	0.0722433483789	0.3805808563	0.0369843248591	-0.0426762009853	0.644775094371	0.152655498182	0.440540949669	-54.9179469105	-96.8984618267	-14.0269857316

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 'D' and (resid 6 through 27 )	D	A	6 - 27	1 - 22
2	2	chain 'D' and (resid 28 through 283 )	D	A	28 - 283	23 - 278
3	3	chain 'D' and (resid 284 through 370 )	D	A	284 - 370	279 - 365
4	4	chain 'E' and (resid 5 through 27 )	E	C	5 - 27	1 - 23
5	5	chain 'E' and (resid 28 through 244 )	E	C	28 - 244	24 - 240
6	6	chain 'E' and (resid 245 through 370 )	E	C	245 - 370	241 - 366
7	7	chain 'C' and (resid 6 through 46 )	C	E	6 - 46	1 - 41
8	8	chain 'C' and (resid 47 through 262 )	C	E	47 - 262	42 - 257
9	9	chain 'C' and (resid 263 through 350 )	C	E	263 - 350	258 - 345
10	10	chain 'C' and (resid 351 through 370 )	C	E	351 - 370	346 - 365
11	11	chain 'B' and (resid 6 through 46 )	B	G	6 - 46	1 - 41
12	12	chain 'B' and (resid 47 through 105 )	B	G	47 - 105	42 - 100
13	13	chain 'B' and (resid 106 through 167 )	B	G	106 - 167	101 - 162
14	14	chain 'B' and (resid 168 through 216 )	B	G	168 - 216	163 - 211
15	15	chain 'B' and (resid 217 through 235 )	B	G	217 - 235	212 - 230
16	16	chain 'B' and (resid 236 through 262 )	B	G	236 - 262	231 - 257
17	17	chain 'B' and (resid 263 through 283 )	B	G	263 - 283	258 - 278
18	18	chain 'B' and (resid 284 through 313 )	B	G	284 - 313	279 - 308
19	19	chain 'B' and (resid 314 through 350 )	B	G	314 - 350	309 - 345
20	20	chain 'B' and (resid 351 through 370 )	B	G	351 - 370	346 - 365
21	21	chain 'F' and (resid 6 through 46 )	F	J	6 - 46	1 - 41
22	22	chain 'F' and (resid 47 through 262 )	F	J	47 - 262	42 - 257
23	23	chain 'F' and (resid 263 through 283 )	F	J	263 - 283	258 - 278
24	24	chain 'F' and (resid 284 through 350 )	F	J	284 - 350	279 - 345
25	25	chain 'F' and (resid 351 through 370 )	F	J	351 - 370	346 - 365
26	26	chain 'A' and (resid 6 through 27 )	A	L	6 - 27	1 - 22
27	27	chain 'A' and (resid 28 through 283 )	A	L	28 - 283	23 - 278
28	28	chain 'A' and (resid 284 through 370 )	A	L	284 - 370	279 - 365
29	29	chain 'G' and (resid 6 through 27 )	G	N	6 - 27	1 - 22
30	30	chain 'G' and (resid 28 through 93 )	G	N	28 - 93	23 - 88
31	31	chain 'G' and (resid 94 through 176 )	G	N	94 - 176	89 - 171
32	32	chain 'G' and (resid 177 through 262 )	G	N	177 - 262	172 - 257
33	33	chain 'G' and (resid 263 through 350 )	G	N	263 - 350	258 - 345
34	34	chain 'G' and (resid 351 through 370 )	G	N	351 - 370	346 - 365
35	35	chain 'H' and (resid 6 through 46 )	H	Q	6 - 46	1 - 41
36	36	chain 'H' and (resid 47 through 105 )	H	Q	47 - 105	42 - 100
37	37	chain 'H' and (resid 106 through 187 )	H	Q	106 - 187	101 - 182
38	38	chain 'H' and (resid 188 through 216 )	H	Q	188 - 216	183 - 211
39	39	chain 'H' and (resid 217 through 235 )	H	Q	217 - 235	212 - 230
40	40	chain 'H' and (resid 236 through 262 )	H	Q	236 - 262	231 - 257
41	41	chain 'H' and (resid 263 through 350 )	H	Q	263 - 350	258 - 345
42	42	chain 'H' and (resid 351 through 370 )	H	Q	351 - 370	346 - 365

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