PDB-8qx3: Arabidopsis thaliana Phosphoenolpyruvate carboxylase PPC1 R886G mutant

ID or keywords:

Entry

Database: PDB / ID: 8qx3

Title

Arabidopsis thaliana Phosphoenolpyruvate carboxylase PPC1 R886G mutant

Components

Phosphoenolpyruvate carboxylase 1

Keywords

PLANT PROTEIN / Phosphoenolpyruvate carboxylase / Citric acid cycle / TCA cycle / photosynthesis

Function / homology

Function and homology information

phosphoenolpyruvate carboxylase / phosphoenolpyruvate carboxylase activity / leaf development / apoplast / carbon fixation / cellular response to phosphate starvation / photosynthesis / tricarboxylic acid cycle / protein tetramerization / nucleus / cytosol
Similarity search - Function

Biological species

Arabidopsis thaliana (thale cress)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.94714975462 Å

Authors

Loris, R. / Haesaerts, S. / Larsen, P.B.

Funding support

United States,

Belgium, 2items

Citation

Journal: To Be Published
Title: Amino acid changes that deregulate PHOSPHOENOLPYRUVATE CARBOXYLASE in plants
Authors: Meyer, T.J. / Sheng, J. / Haesearts, S. / Fausto, K. / O'Leary, S. / Loris, R. / Larsen, P.B.

History

Deposition	Oct 21, 2023	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Oct 30, 2024	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	8qx3.cif.gz	1.7 MB	Display	PDBx/mmCIF format
PDB format	pdb8qx3.ent.gz	1.2 MB	Display	PDB format
PDBx/mmJSON format	8qx3.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/qx/8qx3 ftp://data.pdbj.org/pub/pdb/validation_reports/qx/8qx3	HTTPS FTP

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Related structure data

Related structure data	8cj5C 8cj8C 8oj9C 8ojeC 8ojfC 8ojqC 8ojyC 8ojzC 8qtmC 8qx1C 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
Related items in Molecule of the Month	#154 - Oct 2012 Citric Acid Cycle similarity (1) #50 - Feb 2004 Glycolytic Enzymes similarity (1)

Deposited unit

A: Phosphoenolpyruvate carboxylase 1

B: Phosphoenolpyruvate carboxylase 1

C: Phosphoenolpyruvate carboxylase 1

D: Phosphoenolpyruvate carboxylase 1

hetero molecules

446 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author
Evidence: gel filtration

Unit cell

Length a, b, c (Å)	127.670, 159.160, 140.990
Angle α, β, γ (deg.)	90.000, 92.030, 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

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID
1	1
2	1
3	1
4	1

NCS domain segments:

Ens-ID: 1

Dom-ID	Component-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	ALA	ALA	LYS	LYS	(chain 'A' and (resid 35 through 120 or resid 138...	A	A	35 - 120	42 - 127
1	2	ASP	ASP	PRO	PRO	(chain 'A' and (resid 35 through 120 or resid 138...	A	A	138 - 756	145 - 763
1	3	GLY	GLY	ALA	ALA	(chain 'A' and (resid 35 through 120 or resid 138...	A	A	764 - 871	771 - 878
1	4	LEU	LEU	PRO	PRO	(chain 'A' and (resid 35 through 120 or resid 138...	A	A	889 - 911	896 - 918
1	5	PRO	PRO	GLY	GLY	(chain 'A' and (resid 35 through 120 or resid 138...	A	A	931 - 967	938 - 974
2	6	ALA	ALA	LYS	LYS	(chain 'B' and (resid 35 through 120 or resid 138...	B	B	35 - 120	42 - 127
2	7	ASP	ASP	PRO	PRO	(chain 'B' and (resid 35 through 120 or resid 138...	B	B	138 - 756	145 - 763
2	8	GLY	GLY	ALA	ALA	(chain 'B' and (resid 35 through 120 or resid 138...	B	B	764 - 871	771 - 878
2	9	LEU	LEU	PRO	PRO	(chain 'B' and (resid 35 through 120 or resid 138...	B	B	889 - 911	896 - 918
2	10	PRO	PRO	GLY	GLY	(chain 'B' and (resid 35 through 120 or resid 138...	B	B	931 - 967	938 - 974
3	11	ALA	ALA	LYS	LYS	(chain 'C' and (resid 35 through 872 or resid 889 through 911 or resid 931 through 967))	C	C	35 - 120	42 - 127
3	12	ASP	ASP	PRO	PRO	(chain 'C' and (resid 35 through 872 or resid 889 through 911 or resid 931 through 967))	C	C	138 - 756	145 - 763
3	13	GLY	GLY	ALA	ALA	(chain 'C' and (resid 35 through 872 or resid 889 through 911 or resid 931 through 967))	C	C	764 - 871	771 - 878
3	14	LEU	LEU	PRO	PRO	(chain 'C' and (resid 35 through 872 or resid 889 through 911 or resid 931 through 967))	C	C	889 - 911	896 - 918
3	15	PRO	PRO	GLY	GLY	(chain 'C' and (resid 35 through 872 or resid 889 through 911 or resid 931 through 967))	C	C	931 - 967	938 - 974
4	16	ALA	ALA	LYS	LYS	(chain 'D' and resid 35 through 967)	D	D	35 - 120	42 - 127
4	17	ASP	ASP	PRO	PRO	(chain 'D' and resid 35 through 967)	D	D	138 - 756	145 - 763
4	18	GLY	GLY	ALA	ALA	(chain 'D' and resid 35 through 967)	D	D	764 - 871	771 - 878
4	19	LEU	LEU	PRO	PRO	(chain 'D' and resid 35 through 967)	D	D	889 - 911	896 - 918
4	20	PRO	PRO	GLY	GLY	(chain 'D' and resid 35 through 967)	D	D	931 - 967	938 - 974

#1: Protein	Phosphoenolpyruvate carboxylase 1 Mass: 111298.023 Da / Num. of mol.: 4 / Mutation: R886G Source method: isolated from a genetically manipulated source Source: (gene. exp.) Arabidopsis thaliana (thale cress) / Gene: PPC1 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q9MAH0
#2: Chemical	ChemComp-PO4 / PHOSPHATE ION Mass: 94.971 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: PO₄
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 8 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	N
Has protein modification	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: 3.22 Å³/Da / Density % sol: 61.75 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion / pH: 6.5 Details: 0.09M Sodium nitrate, 0.09 Sodium phosphate dibasic, 0.09M Ammonium sulfate, 0.1M MES monohydrate pH6.5, 20% v/v Ethylene glycol; 10 % w/v PEG 8K

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SOLEIL / Beamline: PROXIMA 2 / Wavelength: 0.9801 Å
Detector	Type: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Dec 16, 2019
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9801 Å / Relative weight: 1
Reflection	Resolution: 2.947→48.9871682739 Å / Num. obs: 118629 / % possible obs: 99.5 % / Redundancy: 7.04 % / B_iso Wilson estimate: 92.7213159956 Å² / CC_1/2: 0.998 / R_merge(I) obs: 0.132 / Net I/σ(I): 10.48
Reflection shell	Resolution: 2.947→3.12 Å / R_merge(I) obs: 1.879 / Num. unique obs: 18703 / CC_1/2: 0.578

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Processing

Software

Name	Version	Classification
MxCuBE		data collection
PHENIX	1.11.1_2575	refinement
XDS		data reduction
XDS		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.94714975462→48.9871682739 Å / SU ML: 0.541711635851 / Cross valid method: FREE R-VALUE / σ(F): 1.34243247246 / Phase error: 28.3635904779
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.240282844925	5927	5.00236318828 %
R_work	0.204123799733	112557	-
obs	0.20595509357	118484	99.8113016814 %

Solvent computation

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

Displacement parameters

B_iso mean: 114.629316858 Å²

Refinement step

Cycle: LAST / Resolution: 2.94714975462→48.9871682739 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	28609	0	20	8	28637

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.00369342780589	29241
X-RAY DIFFRACTION	f_angle_d	0.665411590436	39588
X-RAY DIFFRACTION	f_chiral_restr	0.0421804350474	4365
X-RAY DIFFRACTION	f_plane_restr	0.0049426194382	5140
X-RAY DIFFRACTION	f_dihedral_angle_d	15.7588523648	17749

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 (%)
2.9472-2.9806	0.466224995086	190	0.488385260236	3616	X-RAY DIFFRACTION	97.2158365262
2.9806-3.0157	0.423129774474	197	0.409827820212	3727	X-RAY DIFFRACTION	100
3.0157-3.0525	0.384512680054	198	0.367140882829	3769	X-RAY DIFFRACTION	99.8992697054
3.0525-3.0911	0.365669858176	195	0.334711676962	3714	X-RAY DIFFRACTION	100
3.0911-3.1318	0.347284894204	200	0.30759500971	3793	X-RAY DIFFRACTION	99.9749624437
3.1318-3.1747	0.350045963146	197	0.313229748746	3732	X-RAY DIFFRACTION	99.9491223607
3.1747-3.22	0.338098022725	196	0.281636379894	3736	X-RAY DIFFRACTION	100
3.22-3.2681	0.327561673371	198	0.284943211525	3764	X-RAY DIFFRACTION	99.974766591
3.2681-3.3191	0.329336790631	196	0.280135216129	3715	X-RAY DIFFRACTION	99.948888321
3.3191-3.3735	0.329913534949	198	0.273816782681	3763	X-RAY DIFFRACTION	99.9495331819
3.3735-3.4317	0.300734580382	197	0.267945484684	3747	X-RAY DIFFRACTION	100
3.4317-3.4941	0.300370726106	195	0.263930046029	3699	X-RAY DIFFRACTION	99.9230177059
3.4941-3.5612	0.303534954357	198	0.259347667796	3764	X-RAY DIFFRACTION	100
3.5612-3.6339	0.275903786554	198	0.231146706579	3762	X-RAY DIFFRACTION	99.97475385
3.6339-3.7129	0.251005187454	198	0.213787297533	3752	X-RAY DIFFRACTION	99.9241082722
3.7129-3.7992	0.254986863802	198	0.210943198357	3762	X-RAY DIFFRACTION	100
3.7992-3.8942	0.248926293184	197	0.214974105584	3733	X-RAY DIFFRACTION	99.8983223183
3.8942-3.9995	0.222001443727	198	0.19744376602	3767	X-RAY DIFFRACTION	99.9747856783
3.9995-4.1171	0.230866282733	197	0.187287571055	3738	X-RAY DIFFRACTION	99.9238191976
4.1171-4.2499	0.23346521101	199	0.177506851593	3788	X-RAY DIFFRACTION	99.9749247743
4.2499-4.4017	0.226459182796	197	0.170695161015	3733	X-RAY DIFFRACTION	99.9237223494
4.4017-4.5778	0.20663085415	196	0.171549401243	3740	X-RAY DIFFRACTION	99.9238385377
4.5778-4.786	0.202751391166	198	0.158857368613	3762	X-RAY DIFFRACTION	99.8990918264
4.786-5.0381	0.195576612017	200	0.152031994712	3785	X-RAY DIFFRACTION	99.9498369702
5.0381-5.3534	0.203629350678	198	0.165349204432	3766	X-RAY DIFFRACTION	99.9495713565
5.3534-5.7661	0.241005515138	197	0.187229731146	3755	X-RAY DIFFRACTION	100
5.7661-6.3453	0.238211730387	199	0.201390229697	3774	X-RAY DIFFRACTION	99.824120603
6.3453-7.2609	0.227895124531	199	0.18177265522	3782	X-RAY DIFFRACTION	99.8996235885
7.2609-9.1383	0.179477670413	200	0.156955583649	3805	X-RAY DIFFRACTION	99.8504113687
9.1383-48.9871	0.201706769124	203	0.187978552123	3814	X-RAY DIFFRACTION	98.6493123772

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	1.48915054835	0.226978495563	-0.0730326122391	1.32073492168	0.0814781320822	0.370924023373	0.0305954253091	-0.428080015687	0.0494770324569	0.390901900971	-0.119213351881	0.263739743468	0.0988237633962	-0.0688578271028	0.0822829656954	0.81379168529	-0.0872441282895	0.0212815801216	0.708040194957	0.0894270121159	0.604722984935	24.3745476862	-20.5894813406	167.522248468
2	1.36691316015	-0.253001402477	-0.171126675984	1.91557086605	-0.0573512921337	0.586647501329	0.173526777105	0.0433705665291	-0.0030162020736	-0.184230879604	-0.116793516173	-0.155105617933	0.0249596666865	-0.0368779620819	-0.0560787720057	0.481693772022	-0.0235485763357	-0.0515031437334	0.483737740004	0.0316703881116	0.486838583275	45.3930565976	-13.8433317042	139.887961741
3	2.14887232642	0.0823706208507	-0.256294251602	1.0470624094	-0.197373871681	0.438473574395	0.0601082469962	-0.292915762848	-0.35443235668	0.327515385955	-0.0287158084503	-0.00924887932193	0.19101732563	0.0923096707824	-0.0218133452158	0.724081381278	-0.0420427386435	-0.0824483793885	0.574663051165	0.191860301572	0.645121787884	37.3774228473	-37.652815819	161.709800297
4	4.66210527842	-4.0706970381	-1.40093429888	6.77172427445	3.5522704172	6.01374821804	0.449051954162	-1.41593520473	0.723559156842	0.738466944795	0.00502826323979	-0.918142129707	-0.0161720988276	0.324362247322	-0.388955657761	0.780382388293	-0.24802776481	-0.168185369388	0.988415490237	-0.0717568070382	0.627269126104	42.3969320139	31.5156830326	172.459389523
5	1.70364103704	0.882063091497	0.346789210972	1.63200325918	0.30323346307	1.05016919233	0.219551259425	-0.498224217923	-0.0502268551879	0.390982887665	-0.107827392	0.16065965601	-0.264653654161	-0.093036136414	-0.129227283184	0.735797622418	-0.0382683252756	0.130760888783	0.64933173049	-0.0460738807306	0.674500631241	15.917417104	17.5995726539	165.281679741
6	2.37870858293	-0.0118794025687	0.519689266954	1.04371517452	0.184378779943	0.0863404042906	-0.00327237920564	-0.264592918256	0.0371104127939	0.555623113379	0.0697385440417	0.057182519684	-0.0294148304435	-0.11806424791	-0.108137023826	0.65026511866	-0.0394404401066	0.0827249982173	0.640647893861	-0.0728320889812	0.509844696647	28.1728400789	11.9938762997	158.606365007
7	2.21617476344	0.918029673739	-0.824501368103	3.71483297197	-0.304241267652	1.04174327097	0.0225137561843	0.120771082908	-0.186408113655	-0.300285141632	0.102401957877	-0.0326008595444	0.0556980948188	-0.0020110796611	-0.159254952277	0.53459783197	0.00620022918318	-0.0466468852255	0.536903529335	0.0416377973093	0.575143118949	12.8254130409	-1.0204738017	141.88303334
8	2.9790344281	2.12537191789	-2.0090873678	4.25724443413	-1.39017875875	2.96720737211	-0.291049481687	0.377505604837	-0.436157554816	-0.520694490751	0.127567700752	-0.0214047996201	0.0888716322243	-0.483584717397	0.050477149709	0.426686901058	-0.0315807572085	-0.161387070237	0.588462613608	-0.0328623565963	0.471362250887	10.597839772	-3.7301451191	139.134470269
9	1.03151620606	-0.158207679547	0.5564120171	2.31294028054	-0.933817876533	0.641959386837	0.16756392363	0.0593441334478	0.4719186122	-0.158075360547	-0.12790809534	0.31293580829	-0.157901629819	-0.0300281950627	-0.0308119484634	0.547214236775	0.00452557165315	0.10341888323	0.466450085482	-0.0187047701075	0.683837710463	1.43084050587	29.4498646842	139.253931413
10	3.5138651114	-1.61612726965	0.153797828481	5.05241603913	1.10817636559	2.88894060957	-0.199700980169	-0.299619108416	-0.39844749207	0.714022897031	0.146661357428	0.825054719721	0.170998381583	-0.366851413908	0.0792574656467	0.674676384713	-0.0451075448642	0.107805713381	0.524635230668	-0.00990623447267	0.583756420902	6.51755945935	20.6041309395	161.734584653
11	3.13131459109	-0.377193449829	-0.321194233341	2.14685344849	0.24542733527	0.936599205542	0.249740530733	-0.415745751737	0.706131578083	0.331910439872	-0.0911767813644	0.1956361335	-0.483366016101	-0.0576955525581	-0.168515350451	0.899375592346	-0.098461260851	0.199663808665	0.689745946594	-0.278124900095	0.906131603207	16.7795022797	43.9304644101	165.582299454
12	2.58293769269	0.691045299228	-0.0680602259566	3.90006217109	-1.22506316984	1.85470664839	0.120345872443	0.148201202972	-0.113659774028	0.603531086887	0.00867114814082	-0.563153862052	-0.155447870871	-0.0452222335771	-0.128245579502	0.700776177934	-0.150472058178	0.070102178668	0.566979690524	-0.160179549275	0.818978483095	40.9793070058	37.1941757612	150.35214857
13	1.37998924206	0.230234322058	0.128690869787	1.52677488037	-0.0498103427071	1.28203379418	0.124842344203	1.20676313739	0.293592576772	-0.519319657753	-0.307771942861	-0.25488338136	0.0124348100258	0.468716288856	0.175145061492	1.1926279705	0.37909824277	0.278294584411	1.66635183649	0.393147495764	1.11390724967	49.6886741438	3.17440915793	63.8697861004
14	2.43948456136	-0.988215861194	0.0552897509605	2.28864426444	-0.476935836199	0.839089966116	0.190705104836	0.527722934544	-0.0709463222598	-0.0142374103626	-0.382190447579	-0.00718097185889	0.161927324597	0.114813101048	0.172401901094	0.863802779082	0.0930242243273	0.138989934543	0.713490984845	-0.00447945806949	0.557051089944	38.4922431404	-14.1235283417	89.9017396198
15	3.18091294796	-0.431476705075	0.697585065796	2.25661160043	-0.0584596798166	1.95485126071	0.914192631427	1.5580403093	-0.0168537237235	-0.641986581785	-0.6072072023	-0.652431177494	0.289470962865	0.26221235981	-0.282896600768	0.930121724404	0.487557936292	0.0848505621132	1.28101863047	0.0949347753999	0.941460472596	57.5581904268	-24.060494207	79.7251125663
16	0.979937103961	0.0425606320213	-0.628127704644	1.19030338023	-0.0294756443529	1.05170799414	0.338902160157	1.21303745934	-0.102349833301	-0.39825198836	-0.221400108371	-1.44143869133	0.407465873136	0.844781468993	-0.124839629978	1.07436632933	0.498600390292	0.357801714465	2.05491996104	0.24635543254	1.88368323309	68.8185902417	-9.24215096624	65.7222954991
17	4.23206181253	-2.1623185593	-0.831519694503	4.42468945704	1.49694720045	4.17318300416	-0.521933269246	-0.0298237694669	0.339612204724	1.1013060191	0.117280324154	-0.97842000199	0.435179947005	0.695574863624	0.480206389463	1.00540453652	0.0764315991587	0.0465863574919	1.32262493334	0.60798152532	1.46703584198	63.4109167062	15.4988357174	79.3692460228
18	2.06517080659	-1.56649646429	1.38244650132	1.26554192899	-1.21718937142	1.89436078499	0.451541988305	0.0721037877548	-0.227431584455	-0.961931697132	0.417021408987	0.230864476922	0.492711869314	0.360904317798	-0.757354197758	2.06702809948	-0.0617621075655	-0.457241612349	1.3760612995	-0.518951232599	1.30610841489	-3.7503429433	-16.2797559479	57.573830958
19	2.07997714187	1.61355332868	-0.191341235331	4.72924579976	-0.234786703901	1.32419655955	0.146315609253	1.32246132571	0.203436321936	-0.919871864631	-0.42230305537	-0.143700604615	-0.099625452781	-0.234499680939	0.264405135195	0.949329427337	0.475693371555	0.0615691403703	1.55544269869	0.154316689332	1.04843582296	10.3913944986	10.3807662508	62.0686539203
20	0.900811535164	-0.886743938643	0.518964117061	6.03211378968	2.0495219037	2.49535823824	0.767927924863	1.28341530308	0.470677060566	-1.32047996445	-1.01522512654	-0.364397448174	-0.069787860026	0.099012759695	0.193387394575	0.861102400083	0.308964184795	0.0973574797009	1.27626575355	0.22065435388	0.811159636071	11.6353199699	1.46570892786	71.0796391993
21	2.82484925014	-0.935131499266	0.192546270045	2.11842795772	0.445153405831	1.75829882603	0.32537877402	1.07565857471	-0.0198829734945	-0.381232309198	-0.461036582764	0.163679562632	0.121406231071	-0.132136129739	0.124433771577	0.776820125052	0.183948041617	0.0248882680031	1.03569150071	-0.0114678828612	0.684425343704	13.729755434	5.64750068072	76.461288384
22	3.27704544192	-0.177541945608	0.625562309295	3.23662656845	0.253940043405	0.872112005938	0.0714523621919	0.323159404258	0.240382916644	0.744478559356	-0.387701170586	-0.746132111536	0.0783185275836	0.603688947572	0.275085320669	0.906040489524	-0.0102901935551	-0.0390704368465	0.837950829657	0.264852442569	0.919362817313	34.2748278375	13.0577234961	91.5162514515
23	5.23712783925	-0.431822875019	0.209396090933	2.86944581458	0.595464610605	4.19721868821	0.479052103565	-0.0816959397124	0.784142872138	0.636421295612	-0.302837107306	-0.714504878411	-0.608386224073	0.157976480655	-0.297905419312	0.953588336487	-0.0301069791925	0.0393017082662	0.668775330231	0.102006390121	0.814053108665	30.0295275187	16.7062108653	91.7906846095
24	2.89688112217	-1.45375107378	-1.66365533756	2.16383589223	0.688928662406	3.33011890124	-0.349161589678	0.0990236503085	-0.422006208823	0.366021580409	-0.280176989631	0.542752224945	0.0291773933738	-0.107922756451	0.632386768182	0.879035520906	-0.0128006453334	0.0141618801348	0.777302679095	-0.104529280699	0.827546739441	-2.1780871944	21.6817334793	99.7640906891
25	2.74995559438	-0.782386865883	-1.34947186576	2.38071127478	0.409250744436	3.17267238241	0.295182904505	0.888021718512	0.405340662952	-0.310328068361	-0.432409271239	0.440497816908	-0.491265260802	-0.324692194789	0.162789510504	0.827088501833	0.14475192308	0.00167900126579	0.976503998498	0.0258485690427	0.956321688551	-2.72328470996	24.7743266035	82.2379916961
26	1.77125581896	-0.22068359583	0.270146069724	1.91149008441	-0.303244327219	1.0459376309	0.178026657684	0.984043971974	0.193766921619	-0.11941905668	-0.13202225474	0.948592852151	-0.0935671547137	-0.501649604814	-0.044910323991	0.856066371372	0.214078571655	-0.263161379428	1.51189105721	-0.0653571939267	1.37270812604	-13.0616650996	7.12894704789	66.5028240738

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 31 through 221 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 222 through 605 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 606 through 967 )
4	X-RAY DIFFRACTION	4	chain 'B' and (resid 31 through 87 )
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 88 through 179 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 180 through 266 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 267 through 365 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 366 through 430 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 431 through 647 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 648 through 706 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 707 through 908 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 909 through 967 )
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 35 through 202 )
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 203 through 548 )
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 549 through 679 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 680 through 908 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 909 through 967 )
18	X-RAY DIFFRACTION	18	chain 'D' and (resid 32 through 87 )
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 88 through 162 )
20	X-RAY DIFFRACTION	20	chain 'D' and (resid 163 through 202 )
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 203 through 296 )
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 297 through 365 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 366 through 430 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 431 through 519 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 520 through 679 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 680 through 967 )

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