PDB-8a5w: Crystal structure of the human phosphoserine aminotransferase (PS...

ID or keywords:

Entry

Database: PDB / ID: 8a5w

Title

Crystal structure of the human phosphoserine aminotransferase (PSAT) in complex with O-phosphoserine

Components

(Phosphoserine ...

) x 3

Keywords

TRANSFERASE /

human / PSAT

Function / homology

Function and homology information

phosphoserine transaminase /

O-phospho-L-serine:2-oxoglutarate aminotransferase activity / Serine biosynthesis / 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: 2.78 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 / Category: chem_comp_atom / chem_comp_bond

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	8a5w.cif.gz	1.2 MB	Display	PDBx/mmCIF format
PDB format	pdb8a5w.ent.gz	936.4 KB	Display	PDB format
PDBx/mmJSON format	8a5w.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/a5/8a5w ftp://data.pdbj.org/pub/pdb/validation_reports/a5/8a5w	HTTPS FTP

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Related structure data

Related structure data	8a5vC 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

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

1

Idetical with deposited unit
defined by author&software
Evidence: gel filtration

2

Idetical with deposited unit
defined by author&software

3

Idetical with deposited unit
defined by author&software

4

D: Phosphoserine aminotransferase

C: Phosphoserine aminotransferase

B: Phosphoserine aminotransferase

F: Phosphoserine aminotransferase

A: Phosphoserine aminotransferase

G: Phosphoserine aminotransferase

H: Phosphoserine aminotransferase

hetero molecules

defined by author&software
282 kDa, 7 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	65.433, 205.742, 135.750
Angle α, β, γ (deg.)	90.000, 97.875, 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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Phosphoserine ... , 3 types, 8 molecules DFAECBGH

#1: Protein	Phosphoserine aminotransferase / Phosphoserine transaminase / Phosphohydroxythreonine aminotransferase / PSAT Mass: 39894.910 Da / Num. of mol.: 3 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 / Phosphoserine transaminase / Phosphohydroxythreonine aminotransferase / PSAT Mass: 42905.250 Da / Num. of mol.: 1 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: Protein	Phosphoserine aminotransferase / Phosphoserine transaminase / Phosphohydroxythreonine aminotransferase / PSAT Mass: 40123.027 Da / Num. of mol.: 4 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

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Non-polymers , 6 types, 123 molecules

#4: Chemical	ChemComp-E1U / (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid Mass: 414.199 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₁₁H₁₆N₂O₁₁P₂ / Feature type: SUBJECT OF INVESTIGATION
#5: Chemical	ChemComp-U93 / (2~{S})-2-[[(~{R})-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl]amino]-3-phosphonooxy-propanoic acid Mass: 544.387 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₁₇H₃₀N₄O₁₂P₂ / Feature type: SUBJECT OF INVESTIGATION
#6: Chemical	ChemComp-SEP / PHOSPHOSERINE / PHOSPHONOSERINE / Phosphoserine Type: L-peptide linking / Mass: 185.072 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₃H₈NO₆P / Feature type: SUBJECT OF INVESTIGATION
#7: Chemical	ChemComp-PMP / 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE / PYRIDOXAMINE-5'-PHOSPHATE Mass: 248.173 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₈H₁₃N₂O₅P / Feature type: SUBJECT OF INVESTIGATION
#8: Chemical	ChemComp-SO4 / SULFATE ION / Sulfate Mass: 96.063 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: SO₄
#9: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 114 / Source method: isolated from a natural source / Formula: H₂O

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Details

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: 3.01 Å³/Da / Density % sol: 59.1 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop Details: 0.2 M Na2SO4, 0.1 M Bis Tris Propane, pH 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: 2.78→134.47 Å / Num. obs: 60488 / % possible obs: 93.2 % / Redundancy: 6.8 % / B_iso Wilson estimate: 50.02 Å² / CC_1/2: 0.993 / Net I/σ(I): 8.9
Reflection shell	Resolution: 2.78→3.11 Å / Num. unique obs: 3024 / CC_1/2: 0.574

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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: 2.78→51.44 Å / SU ML: 0.2394 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 23.1908
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2276	2953	4.88 %
R_work	0.1821	57509	-
obs	0.1844	60462	67.61 %

Solvent computation

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

Displacement parameters

B_iso mean: 46.91 Å²

Refinement step

Cycle: LAST / Resolution: 2.78→51.44 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	22521	0	111	114	22746

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.005	23096
X-RAY DIFFRACTION	f_angle_d	0.6879	31296
X-RAY DIFFRACTION	f_chiral_restr	0.058	3510
X-RAY DIFFRACTION	f_plane_restr	0.0039	4010
X-RAY DIFFRACTION	f_dihedral_angle_d	11.9386	8467

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 (%)
2.78-2.82	0.4009	2	0.3074	46	X-RAY DIFFRACTION	1.14
2.82-2.87	0.4565	7	0.299	112	X-RAY DIFFRACTION	2.86
2.87-2.92	0.386	15	0.3575	230	X-RAY DIFFRACTION	5.82
2.92-2.98	0.3684	19	0.3318	504	X-RAY DIFFRACTION	12.18
2.98-3.04	0.4015	42	0.3354	762	X-RAY DIFFRACTION	19.22
3.04-3.11	0.3512	58	0.2976	1125	X-RAY DIFFRACTION	27.67
3.11-3.18	0.3337	73	0.2818	1640	X-RAY DIFFRACTION	40.69
3.18-3.26	0.3712	116	0.2752	2159	X-RAY DIFFRACTION	53.03
3.26-3.35	0.3241	146	0.2592	2860	X-RAY DIFFRACTION	71.78
3.35-3.44	0.3051	176	0.249	3580	X-RAY DIFFRACTION	87.09
3.44-3.56	0.321	217	0.2304	3927	X-RAY DIFFRACTION	98.67
3.56-3.68	0.2621	204	0.2092	4065	X-RAY DIFFRACTION	100
3.68-3.83	0.259	207	0.1957	4051	X-RAY DIFFRACTION	99.95
3.83-4	0.2059	204	0.1729	4043	X-RAY DIFFRACTION	100
4-4.22	0.2031	218	0.1611	4023	X-RAY DIFFRACTION	100
4.22-4.48	0.1778	206	0.153	4061	X-RAY DIFFRACTION	99.93
4.48-4.83	0.1922	194	0.1439	4066	X-RAY DIFFRACTION	100
4.83-5.31	0.1933	237	0.1493	4041	X-RAY DIFFRACTION	99.98
5.31-6.08	0.2013	213	0.1693	4049	X-RAY DIFFRACTION	99.91
6.08-7.65	0.2296	197	0.1706	4080	X-RAY DIFFRACTION	99.95
7.65-51.44	0.1574	202	0.1425	4085	X-RAY DIFFRACTION	98.8

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	1.54633787125	-0.242424479857	0.711156811841	1.75262670402	-0.327789128212	2.31734441579	0.151279636062	0.0094142662785	-0.335324678364	0.0119932248066	-0.131751750591	0.111494120052	0.204388633106	0.119565922329	0.0428408443227	0.212383877045	0.0612158865494	0.064979370301	0.0828456706995	-0.0335046033957	0.238990607148	1.82786766844	-36.3405563464	-45.018042592
2	0.802633743276	-0.0207172979091	0.0629101071935	1.41215013277	-0.499137399805	0.904946287509	-0.0794117682851	0.0729524516123	0.516649730826	-0.0934628556447	-0.0779554877019	-0.110487879008	-0.309370276236	0.229940837736	0.00214854131206	0.357049997703	-0.03602988792	-0.0111295669122	-0.00591973001099	-0.0395412959981	0.437127861813	3.76957776274	-13.7692596928	-55.6720823877
3	6.14460996678	-0.652144109684	-0.444232953438	1.79541950311	-0.276655498941	0.612059630626	0.0772245167753	0.530834799537	0.361665108006	-0.35995053409	0.0491734822874	0.284245263857	0.365882967597	-0.0565440144321	-0.151561999501	0.444226677572	-0.0655385028246	-0.0630139843084	0.217246987136	-0.00825956385544	0.228828290926	-10.5350266909	-28.8316891634	-70.3405497125
4	1.13312377701	-0.190251618626	-0.199664081436	2.24166298884	-1.14105213257	2.91745500691	0.0165944600477	-0.0335576387843	0.294047541726	0.00618391326731	0.247471350497	0.676608017623	-0.311191677484	-0.549936030521	-0.215081858053	0.299917050076	0.0454350181123	-0.0639058491431	0.178344979087	-0.0822435967689	0.565898698898	-20.702352985	-24.5029477082	-61.0353252984
5	8.19050873533	-1.13014621398	0.996059717228	2.93058130023	0.0238601211707	3.11163370025	0.240846785782	0.121835432872	-0.664336982422	-0.620385712874	-0.149888280806	0.888269355241	0.265100721869	-0.572720066851	-0.14284558872	0.295829148367	-0.037494406506	-0.0860038402912	0.253876408472	-0.0912439951493	0.458903419631	-23.9543485995	-34.5619003102	-65.8598902864
6	1.11726658081	0.149824979432	-0.0493712342613	0.823262324606	-0.800856694659	1.62544117821	0.119892731852	-0.00817979162438	-0.0361234519908	-0.0670665614371	-0.0155977955442	0.103763140743	0.193820247466	-0.254014026676	-0.0356690897034	0.217750663333	0.0160017718015	0.0851998100506	0.144626042498	-0.0953353069173	0.261140430563	-15.2226875376	-57.7497366349	-70.9775887497
7	2.05612482792	0.416381374838	-0.154246088917	0.853978403353	0.228665913064	2.04904117384	-0.184346397945	0.579131789504	0.068948238575	-0.399531257439	0.173243293905	0.158664703981	0.0548888200639	-0.0848217964296	0.0145401155668	0.470277575806	-0.0751704409936	0.0642081240998	0.33853868902	-0.0150473449293	0.0894114157882	-7.67075797657	-53.2343291933	-94.5722016069
8	2.01963753746	0.242772387244	-0.168809974418	1.30984393366	0.12150481412	1.53461721258	-0.0355324488656	0.300051550515	0.259120297983	-0.185583105788	0.0529194438221	0.196790169625	0.00924509050654	-0.00426400935395	0.00555934069591	0.277565829429	-0.0163098836104	0.0360236759109	0.141601106073	-0.10623687392	0.144740947504	-9.9604201836	-51.4282634349	-77.5844509664
9	2.00379462849	0.00981651331054	0.564898495955	2.36988366054	0.171222667695	3.32431185664	0.0758709919608	0.220326028511	0.109428630086	-0.16061029294	-0.085125031393	-0.338803947181	0.0329041303316	0.830081794546	-0.000922989871474	0.310792027925	-0.0155452788143	0.0986687591916	0.353304899484	-0.0347185770382	0.261081795843	13.3522503307	-46.2893354248	-76.6630549443
10	1.26476050549	-0.470747459924	0.190914111024	1.73667885416	-0.136521234926	1.13465553304	-0.0235697337844	-0.44165693058	0.19075663004	0.228660126631	0.0113347305766	0.0708400041066	-0.354338876396	-0.0514188076175	0.127522777255	0.300338645471	-0.063553227091	0.0830067758986	0.260250497781	-0.169578221086	0.230307921553	-0.929848744794	-20.0644955793	-31.8745875439
11	0.056532498228	-0.143015108535	0.00393416967657	1.24906070465	-0.464323091074	0.234465234924	-0.113729997603	-0.452988688293	0.59825705321	0.277308650077	-0.119848324653	-0.602311766922	-0.679281837124	0.14409413465	-0.119458656745	0.9421312836	-0.202264984434	-0.172868621982	0.746205057305	-0.391559348636	0.868838866115	13.0490260922	-3.90868827924	-16.3473879583
12	1.0431846195	-0.33240972765	0.573162660171	0.995396540168	-0.392084665147	1.62932427754	0.0289780516611	-0.455935738842	0.497739932803	0.315217238485	0.0080149452873	0.10860251711	-0.346959956056	-0.130799190547	0.060975453216	0.577050150202	-0.0728981213556	0.0591833086698	0.332256299429	-0.261791120102	0.348050248176	0.117430022956	-13.3672647835	-26.7760864098
13	1.8616480207	-0.638817177855	0.45421136504	1.92591728815	-0.313514046189	2.25853577008	-0.0115332136139	-0.489578789075	0.172271131176	0.274741966514	-0.109645809889	-0.450218231679	-0.238955950829	0.335652680158	0.105506508771	0.27910191976	-0.134106064049	-0.0165839417123	0.468398759582	-0.0345255174568	0.256386748316	16.3888361896	-31.8085382525	-19.5887745794
14	0.75094941041	-0.23639904266	-0.0200091982052	1.2118118714	-0.407401272573	0.701430296817	0.0708436281754	-0.129859386146	-0.0810728208499	0.282964074298	-0.0872324234974	-0.149886258899	-0.158679646384	0.314787523664	-0.00943603737477	0.257449318779	-0.164579329409	-0.0067722154876	0.794938079359	0.000105384859563	0.194274066675	8.29796564923	-54.5214072888	5.33033533778
15	0.483019085398	0.333606696863	-0.600710540659	1.02129748217	0.133951671429	2.96160604619	0.0135682570655	-0.0757293458706	0.160799339833	0.432671865647	0.108755000994	0.399058531574	-0.51696237089	-0.627189106414	-0.227757404393	0.49487412065	-0.00780373174955	0.161157567201	0.738245251747	0.0192430786318	0.173603958672	-9.96788413945	-44.6312599232	14.5491114291
16	0.588458005628	-0.235235963193	0.31773371348	1.08832140291	-0.301828301156	0.341107846676	0.0255864850992	-0.271402196815	-0.0250943393718	0.356420521881	-0.0532727735213	-0.141438171397	-0.229759822485	0.264984156863	-0.00122958382663	0.358297303297	-0.122130423809	-0.0198744190723	0.743171274085	-0.00272674058793	0.149022689763	8.41213559663	-52.0876751509	8.96524845318
17	2.59631624962	0.612771296385	0.35398667353	2.66730858634	0.152170237967	2.51253329788	0.139827694343	-0.0691015932875	0.0288035194725	-0.100679369757	-0.0385860476762	0.505138783244	0.0840075705986	-0.450514568554	-0.0950368723146	0.263388943932	-0.0629243582051	0.0303009769729	0.690220973612	0.0462050794346	0.214562060167	-12.5571478773	-47.133616092	-11.7450991453
18	0.867446893233	0.324056806997	-0.033984632971	0.934862372903	0.0788349071961	0.952858017472	-0.234823997885	0.185735846345	-0.265884947144	-0.412428074266	0.0407176167449	-0.157287549425	0.292113484711	0.122168542215	-0.0189534382741	0.503833542573	0.00476255844205	0.139155115287	0.169528532238	-0.191034829124	0.423231196679	-5.94965315752	-75.7295878463	-75.4515513127
19	0.00504309246169	0.0285050173832	-0.00685193702947	0.104967224958	-0.0243194817794	0.00707587663999	-0.160829149922	0.31650967532	-0.362526234472	-0.318816139235	0.0847661433828	-0.0456165754234	0.52699496068	-0.342789713112	0.2283115641	0.90123577538	-0.308237874846	0.0705909362942	0.564860891604	-0.333517812383	0.435624994773	-23.87983416	-86.8241638627	-90.5378053086
20	0.742537522599	-0.00873775556932	-0.195052670024	0.65497743771	-0.199118990669	0.30110932655	-0.204388120504	0.346203160095	-0.531045095036	-0.491630044846	-0.0123664728523	-0.077325476382	0.463930501271	-0.0619690297651	-0.0784463830215	0.713751682515	-0.0440357176126	0.233242617355	0.221866345142	-0.301305474917	0.413443644497	-9.11007099587	-83.3898294061	-82.3218559726
21	1.4914413823	0.350634423025	0.273025943624	0.298998229231	-0.200505637861	0.465569787369	0.0744922243654	0.190677880974	-0.740613245515	-0.266624124786	-0.182203484423	-0.0967570169486	0.278601994021	-0.0334256342807	0.0206208718031	0.452571117949	-0.0213946399737	0.0965667542006	0.10748576558	-0.0644693812179	0.461024413086	-21.727413855	-93.6316393554	-63.823770013
22	1.75142073837	-0.278316431686	0.121354758032	2.02992324886	-0.241370394692	1.62139095312	-0.00641511412966	0.292059138348	-0.170884605309	-0.354162375161	0.123590690991	0.23619994414	-0.0358764244292	-0.216876874125	-0.0590353933966	0.443514774463	-0.103795056398	-0.00688219804255	0.173582466466	-0.10234554086	0.346773376306	-32.1503691009	-84.5085087394	-67.753478461
23	2.49247370632	-2.25843874049	-0.813543565358	3.48457005237	-0.738733350706	4.49762435791	-0.0481611063005	-0.439372770948	0.0994882726779	0.442820765986	-0.171060731335	0.381975238969	-0.154059684751	-0.496171860479	0.206096248805	0.367418614219	-0.0944884851607	0.0332130215688	0.147613180173	-0.111168564669	0.312864691343	-33.4532929833	-87.2276441463	-56.5270967391
24	1.56077863442	-0.304269783586	0.311827330094	2.08735971485	-0.551965044211	1.35523426105	-0.0873554302188	0.232067440841	-0.175178559404	-0.0653842209579	0.013770420598	0.0432851957515	-0.135171012135	0.213610242724	-0.00431544062569	0.205371682187	-0.0626087717995	-0.0390877981362	0.698260467669	0.028962323778	0.235023849488	12.7184423466	-67.9515609923	-9.12098507595
25	0.791842659552	-0.0523604875966	-0.234244956246	1.36148365825	0.305143908295	0.978881085157	-0.0320653336316	-0.403630406706	-0.376167227085	0.42774210273	0.128647559532	0.0346173845613	0.054142111646	0.0625157645472	0.0194123756298	0.294383010847	-0.0687919693444	-0.0325746359746	0.994065052204	0.263778193441	0.133562518397	7.34580606175	-78.8620464128	14.790398967
26	0.46890899363	0.225071995842	0.346975845462	1.8270013599	-0.089947763446	1.07890656173	0.207754768415	0.471652565166	0.121301607854	-0.134240662882	-0.242139057442	0.196484825986	0.0657548093554	-0.0316513968454	0.107672288941	0.113223271727	0.00602886114974	-0.0263922952663	0.622489878308	0.0696942326941	0.210436225396	10.8209047769	-76.4331503098	-6.0700956868
27	1.31229854516	-0.170415669902	0.318915321016	1.13698795325	0.0343610707352	0.959443322266	0.106707753744	-0.385756790881	-0.0483794628823	0.271804672348	-0.0913895058042	-0.688656367536	0.0719928877595	0.411276148971	-0.181166950572	0.225784566762	-0.0759618188027	-0.196931456736	1.06335551412	0.14360615859	0.64533030115	34.8959119798	-80.028849754	6.58419302684
28	0.462164499807	-0.0332856735184	-0.295596591399	1.42737097681	0.218616939828	1.05943103527	-0.0468135466055	-0.174523107281	-0.423801367418	-0.239332484972	0.0296521222168	-0.00705381001947	0.421174029306	0.0567614192719	-0.0183725831904	0.421345650979	0.0625368873156	-0.0551256453174	0.218576214817	0.0829201926037	0.632018049178	-20.0732304174	-106.897490851	-37.840295887
29	0.202463297693	0.128847544677	-0.190880658939	0.450201727748	0.0219683011663	0.233003148039	-0.0288896537036	0.103921470233	-0.338417564755	-0.0160818024955	-0.351011919848	-0.556573753972	0.484880569394	0.39474607794	-0.0490059868026	0.768610974766	0.346383051143	0.0831839139894	0.520368168569	0.151065551371	1.12722576014	2.04882434844	-120.852388394	-44.4086309587
30	1.12691486435	0.104601467096	-0.103399596445	0.898388535389	-0.227045171521	0.929570347932	-0.0541845591056	-0.164011794426	-0.510949692196	-0.342232544432	0.0121358104999	-0.122334550119	0.503341431079	0.178118061844	0.0660846376573	0.601115904062	0.141433447911	-0.0331514528356	0.138960277762	0.120969738389	0.806458862935	-15.0759880808	-114.148951455	-41.1784649486
31	0.492175692802	0.0276579278116	-0.627366061221	0.242025839696	0.0927073978556	2.25536848958	-0.114331160535	-0.0441743801541	-0.201205730053	-0.0374534434221	0.274558564164	-0.0228010916404	0.188133744877	-0.220021745092	-0.164079201644	0.352570890225	0.0666826608515	-0.0315823375904	0.148070663591	0.0381655032255	0.494835032196	-25.010257943	-98.2193333416	-43.5486876678
32	5.14107993381	0.0530569548768	1.79268967396	0.00149431295164	-0.00898686323591	1.59521893426	-0.0974883205612	0.205640004198	-0.540629148867	-0.439326233694	0.0878134712988	-0.336663266251	0.703415221729	0.42516223328	0.00649440788072	0.45497992139	0.125210144324	0.0625495371403	0.272179981983	0.0198780393426	0.692740673378	-5.86209801611	-95.8630255375	-55.3513635958
33	1.54792850029	0.279125893054	-0.766209730255	0.899399028391	0.329549664408	2.08013962423	-0.0878715777596	-0.493747227582	-0.237626915414	0.107616380898	0.0762040569391	-0.614205264916	0.259591875899	0.77607078933	0.0204632158068	0.3971250605	0.117608254043	-0.0369453440253	0.407179082838	0.07295480216	0.785930299796	3.23224603223	-92.8013821007	-43.7702496825
34	6.24899873906	1.70817124165	2.60452058764	4.25079122404	0.901992950344	4.79053397088	0.139994169067	-0.190647745596	1.12475897705	-0.0159749965789	-0.212279243891	-0.402809300165	-0.203617910942	0.789965792324	0.0292083517603	0.236269725795	-0.0350578301513	0.110952233629	0.360642950756	0.0333236603394	0.662119150325	2.50692982343	-83.1933349257	-49.7878536695
35	0.835781161096	-0.438658255603	0.185792984198	1.06971127321	0.0332665206605	0.945398760414	-0.0737937317173	-0.808179704538	-0.513486442412	0.118197656635	0.0552118549185	-0.245522169126	0.315933803686	0.204384149719	0.0595234025166	0.246861527898	0.0949380381259	-0.17435517147	0.528023033259	0.485535487587	0.67887999396	-21.5723656198	-107.147592306	-15.2504497497
36	2.50433885664	0.116625943677	-0.445298530557	1.33463456116	0.481421261364	0.525384089491	0.15122787484	-0.352750498227	-0.436499457718	-0.0144080911293	-0.253634516778	0.201390713093	0.279649642629	-0.202230549121	0.0338973590335	0.323618080759	-0.00879199184977	-0.138419193764	0.58387282467	0.20693288769	0.583256767086	-47.9619486894	-102.983741597	-13.6678699393

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 46 )	D	A	6 - 46	1 - 41
2	2	chain 'D' and (resid 47 through 262 )	D	A	47 - 262	42 - 257
3	3	chain 'D' and (resid 263 through 285 )	D	A	263 - 285	258 - 280
4	4	chain 'D' and (resid 286 through 350 )	D	A	286 - 350	281 - 345
5	5	chain 'D' and (resid 351 through 370 )	D	A	351 - 370	346 - 365
6	6	chain 'E' and (resid 5 through 77 )	E	C	5 - 77	1 - 73
7	7	chain 'E' and (resid 78 through 225 )	E	C - E	78 - 225	74 - 221
8	8	chain 'E' and (resid 226 through 285 )	E	E	226 - 285	222 - 281
9	9	chain 'E' and (resid 286 through 370 )	E	E	286 - 370	282 - 366
10	10	chain 'C' and (resid 6 through 123 )	C	F	6 - 123	1 - 118
11	11	chain 'C' and (resid 124 through 148 )	C	F	124 - 148	119 - 143
12	12	chain 'C' and (resid 149 through 244 )	C	F	149 - 244	144 - 239
13	13	chain 'C' and (resid 245 through 370 )	C	F	245 - 370	240 - 365
14	14	chain 'B' and (resid 6 through 117 )	B	H	6 - 117	1 - 112
15	15	chain 'B' and (resid 118 through 176 )	B	H	118 - 176	113 - 171
16	16	chain 'B' and (resid 177 through 262 )	B	H	177 - 262	172 - 257
17	17	chain 'B' and (resid 263 through 370 )	B	H	263 - 370	258 - 365
18	18	chain 'F' and (resid 6 through 105 )	F	J	6 - 105	1 - 100
19	19	chain 'F' and (resid 106 through 136 )	F	J	106 - 136	101 - 131
20	20	chain 'F' and (resid 137 through 262 )	F	J	137 - 262	132 - 257
21	21	chain 'F' and (resid 263 through 285 )	F	J	263 - 285	258 - 280
22	22	chain 'F' and (resid 286 through 350 )	F	J	286 - 350	281 - 345
23	23	chain 'F' and (resid 351 through 370 )	F	J	351 - 370	346 - 365
24	24	chain 'A' and (resid 6 through 46 )	A	L	6 - 46	1 - 41
25	25	chain 'A' and (resid 47 through 244 )	A	L	47 - 244	42 - 239
26	26	chain 'A' and (resid 245 through 262 )	A	L	245 - 262	240 - 257
27	27	chain 'A' and (resid 263 through 370 )	A	L	263 - 370	258 - 365
28	28	chain 'G' and (resid 6 through 118 )	G	O	6 - 118	1 - 113
29	29	chain 'G' and (resid 119 through 148 )	G	O	119 - 148	114 - 143
30	30	chain 'G' and (resid 149 through 244 )	G	O	149 - 244	144 - 239
31	31	chain 'G' and (resid 245 through 262 )	G	O	245 - 262	240 - 257
32	32	chain 'G' and (resid 263 through 283 )	G	O	263 - 283	258 - 278
33	33	chain 'G' and (resid 284 through 350 )	G	O	284 - 350	279 - 345
34	34	chain 'G' and (resid 351 through 370 )	G	O	351 - 370	346 - 365
35	35	chain 'H' and (resid 6 through 262 )	H	P	6 - 262	1 - 257
36	36	chain 'H' and (resid 263 through 370 )	H	P	263 - 370	258 - 365

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