PDB-3khd: Crystal Structure of PFF1300w.

ID or keywords:

Entry

Database: PDB / ID: 3khd

Title

Crystal Structure of PFF1300w.

Components

Pyruvate kinase

Keywords

TRANSFERASE /

malaria /

pyruvate kinase /

Structural Genomics /

Structural Genomics Consortium / SGC

Function / homology

Function and homology information

Glycolysis / Neutrophil degranulation /

pyruvate kinase /

pyruvate kinase activity /

potassium ion binding / glycolytic process /

kinase activity / protein homotetramerization /

phosphorylation / magnesium ion binding ...
Similarity search - Function

Biological species

Plasmodium falciparum 3D7 (eukaryote)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 2.7 Å

Authors

Wernimont, A.K. / Hutchinson, A. / Hassanali, A. / Mackenzie, F. / Cossar, D. / Bochkarev, A. / Arrowsmith, C.H. / Bountra, C. / Weigelt, J. / Edwards, A.M. ...

Citation

Journal: To be Published
Title: Crystal Structure of PFF1300w.
Authors: Wernimont, A.K. / Hutchinson, A. / Hassanali, A. / Mackenzie, F. / Cossar, D. / Bochkarev, A. / Arrowsmith, C.H. / Bountra, C. / Weigelt, J. / Edwards, A.M. / Hui, R. / Pizarro, J.C. / Hills, T.

History

Deposition	Oct 30, 2009	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jan 19, 2010	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Version format compliance
Revision 1.2	Nov 1, 2017	Group: Refinement description / Category: software
Revision 1.3	Feb 21, 2024	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_ncs_dom_lim Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	3khd.cif.gz	312.5 KB	Display	PDBx/mmCIF format
PDB format	pdb3khd.ent.gz	249.8 KB	Display	PDB format
PDBx/mmJSON format	3khd.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/kh/3khd ftp://data.pdbj.org/pub/pdb/validation_reports/kh/3khd	HTTPS FTP

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Related structure data

Similar structure data	4qg9-d 3qv9-1 3qv8-1 3qv6-1 6e41-d 6gg5-d 1zro-d 4qg6-d 4l3v-d 6ter-d Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) 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	#50 - Feb 2004 Glycolytic Enzymes similarity (13)

Deposited unit

A: Pyruvate kinase

B: Pyruvate kinase

C: Pyruvate kinase

D: Pyruvate kinase

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

1

Idetical with deposited unit
defined by software

2

A: Pyruvate kinase

C: Pyruvate kinase

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

3

B: Pyruvate kinase

D: Pyruvate kinase

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

Unit cell

Length a, b, c (Å)	108.749, 94.285, 125.164
Angle α, β, γ (deg.)	90.000, 94.600, 90.000
Int Tables number	4
Space group name H-M	P12₁1

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	B
3	1	C
4	1	D
1	2	A
2	2	B
3	2	C
4	2	D

NCS domain segments:

Component-ID: 1 / Refine code: 1

Dom-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	MET	MET	VAL	VAL	A	A	354 - 366	354 - 366
2	1	MET	MET	VAL	VAL	B	B	354 - 366	354 - 366
3	1	MET	MET	VAL	VAL	C	C	354 - 366	354 - 366
4	1	MET	MET	VAL	VAL	D	D	354 - 366	354 - 366
1	2	ASP	ASP	GLY	GLY	A	A	495 - 502	495 - 502
2	2	ASP	ASP	GLY	GLY	B	B	495 - 502	495 - 502
3	2	ASP	ASP	GLY	GLY	C	C	495 - 502	495 - 502
4	2	ASP	ASP	GLY	GLY	D	D	495 - 502	495 - 502

NCS ensembles :

ID
1
2

#1: Protein	Pyruvate kinase / Mass: 56855.910 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Plasmodium falciparum 3D7 (eukaryote) / Gene: PFF1300w / Plasmid: p15mlh / Production host: Escherichia coli BL21 (bacteria) / Strain (production host): BL21 / References: UniProt: C6KTA4, pyruvate kinase
#2: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.81 Å³/Da / Density % sol: 56.27 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: 10 % PEG8k, 0.2 M Tris HCl, 4 mM MgAcetate, 2 mM AMPPNP, 2 mM NaPyruvate, 2 mM TCEP, 25% glycerol cryoprotectant, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: CLSI / Beamline: 08ID-1 / Wavelength: 0.9792 Å
Detector	Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Sep 10, 2009
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9792 Å / Relative weight: 1
Reflection	Resolution: 2.7→50 Å / Num. all: 69260 / Num. obs: 68983 / % possible obs: 99.6 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.8 % / B_iso Wilson estimate: 69.3 Å² / R_merge(I) obs: 0.102 / R_sym value: 0.075 / Χ²: 1.283 / Net I/σ(I): 8.3
Reflection shell	Resolution: 2.7→2.75 Å / Redundancy: 3.7 % / R_merge(I) obs: 0.823 / Mean I/σ(I) obs: 1.57 / Num. unique all: 3393 / R_sym value: 0.638 / Χ²: 0.806 / % possible all: 99.3

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Phasing

Phasing	Method: molecular replacement

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Processing

Software

Name	Version	Classification
DENZO		data reduction
SCALEPACK		data scaling
PHASER		phasing
REFMAC		refinement
PDB_EXTRACT	3.005	data extraction
Blu-Ice		data collection

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.7→35 Å / Cor.coef. F_o:F_c: 0.91 / Cor.coef. F_o:F_c free: 0.892 / WR_factor R_free: 0.297 / WR_factor R_work: 0.259 / Occupancy max: 1 / Occupancy min: 1 / FOM work R set: 0.767 / SU B: 31.859 / SU ML: 0.297 / SU R Cruickshank DPI: 0.643 / SU R_free: 0.357 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.643 / ESU R Free: 0.357 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : RESIDUAL ONLY

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.297	3463	5 %	RANDOM
R_work	0.262	-	-	-
all	0.264	69484	-	-
obs	0.264	68588	98.71 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK

Displacement parameters

B_iso max: 37.41 Å² / B_iso mean: 29.798 Å² / B_iso min: 18.55 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-2.58 Å²	0 Å²	0.62 Å²
2-	-	1.05 Å²	0 Å²
3-	-	-	1.64 Å²

Refinement step

Cycle: LAST / Resolution: 2.7→35 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	12367	0	0	1	12368

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.006	0.022	12492
X-RAY DIFFRACTION	r_angle_refined_deg	0.879	1.975	16977
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	4.202	5	1734
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	41.471	25.899	395
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	16.812	15	1988
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	17.323	15	37
X-RAY DIFFRACTION	r_chiral_restr	0.053	0.2	2152
X-RAY DIFFRACTION	r_gen_planes_refined	0.003	0.021	9041
X-RAY DIFFRACTION	r_mcbond_it	0.133	1.5	8719
X-RAY DIFFRACTION	r_mcangle_it	0.258	2	13791
X-RAY DIFFRACTION	r_scbond_it	0.42	3	3773
X-RAY DIFFRACTION	r_scangle_it	0.758	4.5	3186

Refine LS restraints NCS

Dom-ID: 1 / Refine-ID: X-RAY DIFFRACTION

Ens-ID	Auth asym-ID	Number	Type	Rms dev position (Å)	Weight position
1	A	81	TIGHT POSITIONAL	0.01	0.05
1	B	81	TIGHT POSITIONAL	0.01	0.05
1	C	81	TIGHT POSITIONAL	0.01	0.05
1	D	81	TIGHT POSITIONAL	0.01	0.05
1	A	81	TIGHT THERMAL	0.01	0.5
1	B	81	TIGHT THERMAL	0.04	0.5
1	C	81	TIGHT THERMAL	0.02	0.5
1	D	81	TIGHT THERMAL	0.02	0.5
2	A	56	TIGHT POSITIONAL	0.01	0.05
2	B	56	TIGHT POSITIONAL	0.03	0.05
2	C	56	TIGHT POSITIONAL	0.03	0.05
2	D	56	TIGHT POSITIONAL	0.02	0.05
2	A	56	TIGHT THERMAL	0.01	0.5
2	B	56	TIGHT THERMAL	0.02	0.5
2	C	56	TIGHT THERMAL	0.02	0.5
2	D	56	TIGHT THERMAL	0.01	0.5

LS refinement shell

Resolution: 2.7→2.77 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.36	200	-
R_work	0.34	4265	-
all	-	4465	-
obs	-	3393	87.67 %

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	1.3582	-0.2837	0.4324	1.0562	0.1435	1.5268	0.111	0.4064	-0.3082	-0.5782	-0.0304	0.2269	0.3199	-0.0952	-0.0806	0.5117	-0.1109	-0.038	0.4971	-0.0019	0.2611	9.2813	8.6146	0.0882
2	0.2917	0.2423	0.2045	4.2745	1.8614	0.8514	0.2669	0.2055	-0.2611	-0.2216	-0.3258	0.3971	0.0258	-0.1277	0.0589	0.7693	-0.0763	-0.2061	0.8638	0.0082	0.5655	-4.5677	20.8778	-7.0932
3	0.5464	0.6678	-0.789	2.4039	-1.3909	1.3381	0.115	0.1055	0.0745	-0.0446	-0.0502	-0.2745	-0.0429	0.0721	-0.0647	0.4413	0.009	-0.011	0.5669	0.0862	0.4827	19.7246	41.9734	-5.9133
4	4.204	0.4783	0.3524	0.9221	-0.3976	1.4208	0.1934	0.1598	0.0085	-0.1078	-0.1428	-0.3486	-0.1763	0.1238	-0.0507	0.5368	0.0091	-0.0159	0.4822	0.1058	0.5351	18.365	40.7541	-3.1291
5	5.2089	0.463	0.7476	3.2793	-0.2762	1.9168	-0.0616	0.0343	0.233	0.0605	0.0721	0.0898	-0.2557	-0.1658	-0.0104	0.409	-0.0144	0.0053	0.3662	0.0958	0.2432	9.1507	31.9259	10.0115
6	1.0479	-0.1279	-0.9443	1.3716	-0.3204	1.6791	-0.0579	0.3199	0.1674	-0.5079	-0.0722	-0.2596	-0.056	0.0691	0.1301	0.4285	-0.0446	0.0124	0.414	0.0662	0.306	19.9014	18.0086	2.756
7	1.6143	-0.3144	0.0898	1.8889	-0.6531	2.7302	-0.005	0.3716	-0.023	-0.2932	0.022	0.0166	0.1585	0.2551	-0.0169	0.275	-0.0853	0.0189	0.2796	0.0257	0.2945	13.5483	9.6406	9.9674
8	2.8094	0.3244	0.6435	3.3362	-0.2864	2.7704	-0.1081	0.1011	0.1125	-0.1504	0.1146	0.0218	-0.0478	-0.2979	-0.0065	0.1809	-0.0487	0.0033	0.2522	0.0374	0.135	2.8604	9.4083	20.7097
9	1.7048	0.5307	1.7791	1.3149	-0.386	2.6755	0.2401	-0.0885	-0.015	0.0898	0.1459	0.458	0.2351	-0.3961	-0.386	0.4517	-0.0671	0.0029	0.5519	0.0245	0.4165	-5.8747	9.0639	13.7944
10	5.0319	0.1314	-0.3302	8.5423	0.8306	4.6879	-0.1002	0.1744	0.3361	-0.3926	0.168	0.5746	-0.4087	-0.4551	-0.0678	0.259	-0.0367	-0.0252	0.3794	0.0809	0.2446	-3.2976	5.7724	25.092
11	1.7131	1.652	-0.5796	2.9008	-2.1975	2.3169	-0.1465	-0.2222	0.451	0.2973	-0.0979	0.0489	-0.6261	-0.0258	0.2443	0.3941	-0.0421	-0.0238	0.3734	-0.0741	0.4015	20.7076	11.4055	56.1332
12	2.7199	0.5267	-0.4995	1.1263	0.6737	1.2297	0.1657	-0.1578	0.1519	0.3091	-0.0998	0.2382	-0.1331	-0.2569	-0.0659	0.3024	0.0806	0.1297	0.1994	-0.0043	0.2565	-4.1687	-5.2102	66.9652
13	1.8595	-0.9738	0.7826	1.7788	-1.2766	1.2379	0.0129	-0.1619	0.0705	0.0758	-0.0661	-0.2274	-0.0126	0.3017	0.0532	0.2057	0.0079	-0.0304	0.2706	-0.0148	0.3197	16.1454	-35.5638	74.8398
14	2.3372	0.6021	1.855	1.1405	-0.6821	3.1455	0.0598	-0.0059	0.154	0.1044	-0.2584	-0.2646	0.0286	0.4005	0.1986	0.2186	0.0452	-0.0154	0.2595	0.0278	0.4027	20.2173	-33.4897	70.2761
15	2.0909	-0.0808	-0.2519	2.0827	-0.8402	1.0131	-0.0058	0.169	-0.1404	-0.1489	0.0054	0.1381	0.1014	-0.0927	0.0003	0.1168	-0.0418	-0.0193	0.0449	-0.0204	0.165	1.2944	-23.2848	55.9141
16	1.8088	-0.3772	-0.0083	0.8722	0.0192	0.1396	0.0992	-0.3248	-0.0032	0.325	-0.1198	-0.2419	0.1189	0.1391	0.0206	0.259	-0.0029	-0.039	0.2691	0.0248	0.239	15.3283	-9.6943	61.7896
17	1.9346	-0.043	-0.3423	1.2651	-0.9775	3.2341	0.0341	-0.0213	0.0675	0.076	-0.0518	-0.09	-0.0193	0.2483	0.0176	0.102	-0.0212	0.0038	0.0253	-0.0151	0.2311	9.9887	0.6476	50.121
18	3.53	1.1681	-0.4663	2.2181	-0.3313	1.6764	0.0138	-0.1047	-0.0867	0.1524	-0.0026	0.1507	-0.0888	-0.0189	-0.0112	0.0805	0.0309	0.0031	0.0172	-0.0118	0.131	-1.6078	-1.7343	46.0455
19	2.3361	-1.6627	-0.8723	2.2966	0.3936	0.6196	0.0893	0.1584	0.1245	-0.1674	0.0102	0.2567	-0.1083	-0.2984	-0.0995	0.1785	0.026	0.0112	0.2316	0.0014	0.2065	-7.218	6.5833	46.3892
20	3.5348	0.0178	0.0093	0.0224	-0.2679	6.5567	0.0803	0.0618	-0.289	-0.0684	0.0002	-0.0105	0.2527	-0.4134	-0.0806	0.3283	-0.0147	0.0307	0.3682	0.0387	0.269	-5.0689	1.9863	35.1969
21	3.7108	-0.8513	-1.4593	1.637	0.4612	1.0396	-0.1553	0.1897	0.3038	-0.357	0.0554	-0.3945	-0.1299	0.2233	0.0999	0.3925	-0.0449	0.043	0.495	0.0919	0.3976	37.4538	18.7566	10.2978
22	4.5365	3.005	-0.3941	4.0049	-1.399	0.6781	-0.2454	0.7218	0.3445	-0.5501	0.085	-0.1403	0.245	0.1769	0.1604	0.7512	-0.0265	0.2919	0.9088	0.068	0.6894	52.2168	13.0492	-4.0496
23	0.2972	0.9023	-0.7586	4.1422	-1.7189	2.9462	-0.0257	0.1054	-0.0765	-0.6901	-0.0148	-0.4504	-0.0209	0.3677	0.0405	0.5939	0.0785	0.223	1.0728	-0.0044	0.9125	55.7989	3.1402	-6.0399
24	3.4862	0.8183	0.0501	3.8746	-0.7596	0.3577	0.1139	0.2883	-0.4057	-0.2221	-0.0707	-0.1149	0.2534	0.1434	-0.0432	0.7543	0.1002	0.1565	0.6939	-0.087	0.5725	42.6276	-8.343	0.5617
25	1.0036	0.2266	0.1588	2.5356	-0.6628	0.8154	-0.143	0.4311	0.1498	-0.5736	-0.03	-0.2062	0.1627	0.0735	0.1729	0.5065	0.0098	0.1518	0.56	0.0329	0.4295	35.1608	9.712	0.1993
26	2.2161	-0.573	0.854	0.8124	-0.7213	2.4236	0.0972	0.1067	-0.188	-0.0726	-0.0624	-0.1025	0.0934	0.2282	-0.0349	0.2671	-0.0114	0.0486	0.3491	0.0152	0.4432	40.5408	5.8328	22.0293
27	0.5805	0.4862	1.3155	2.3631	1.2393	3.1183	0.1089	0.1602	-0.0329	-0.2551	-0.1712	-0.2959	0.0999	0.4515	0.0622	0.3213	0.0292	0.1159	0.4945	0.0907	0.5867	48.0153	3.4804	18.8891
28	13.0737	1.7278	-0.8029	1.9949	-0.6375	0.2185	-0.2693	-0.2081	-0.2365	0.0729	0.2319	-0.1717	0.0063	0.0068	0.0374	0.53	0.0368	0.0953	0.7863	0.0571	0.6222	53.7928	4.7133	11.8964
29	0.2392	1.1018	1.7278	5.3107	8.368	13.1987	-0.294	0.1736	-0.022	-0.4211	0.9105	-0.2575	-0.696	1.7828	-0.6165	0.863	-0.343	0.2076	1.1109	0.1489	1.2491	59.8096	14.0071	22.3355
30	5.2219	0.9947	0.6531	18.6446	-3.2035	4.8263	0.1639	-0.0902	0.1514	-0.3106	-0.3362	-0.7583	-0.0918	0.4955	0.1723	0.3363	-0.0989	0.0557	0.621	0.0685	0.5455	52.8381	9.3143	29.0081
31	1.5362	0.5482	0.0787	0.5547	0.2371	1.0674	0.0525	-0.1702	-0.0614	0.2857	-0.0621	-0.3477	0.1989	0.5173	0.0096	0.2892	-0.0405	-0.1127	0.4613	0.0449	0.5146	39.3403	-10.9259	62.1538
32	0.5028	-0.5197	0.0174	12.3874	6.7018	10.3685	0.1581	-0.1926	0.5154	0.7835	-0.0004	-0.6412	0.1552	0.1876	-0.1577	0.4297	-0.0951	-0.1272	0.8771	0.0356	0.8875	54.9608	-3.4594	74.7951
33	1.8671	-3.9364	-4.7298	10.1055	9.7535	12.0855	0.17	0.2289	-0.2464	0.2338	-0.6767	0.2632	-0.4299	-0.4309	0.5067	0.4379	-0.073	-0.1957	0.6455	0.0053	0.6658	46.0049	4.9467	70.8236
34	4.412	-2.1172	-3.7552	9.0225	-4.5429	8.8251	-0.0543	0.0125	0.1978	1.3306	-0.3081	-0.1085	-0.9896	0.2358	0.3624	0.6133	-0.3076	-0.2213	0.8289	-0.2635	0.8112	50.2618	14.5011	76.2803
35	5.7589	-2.2922	-1.3766	2.6362	2.4592	2.7047	-0.0451	-0.0885	0.5575	0.1408	-0.057	-0.1325	-0.2488	0.0043	0.1021	0.6398	-0.2539	-0.2061	0.6303	-0.0929	0.6364	45.4262	15.8881	66.9796
36	2.341	-0.9512	0.2216	1.2468	0.3879	0.34	-0.1649	-0.4334	0.4364	0.227	0.0687	0.0082	-0.053	0.0284	0.0962	0.4852	-0.2277	-0.0457	0.5287	-0.131	0.5314	30.9381	13.4154	65.621
37	1.1506	-0.206	-0.2219	0.7548	0.3415	0.8498	-0.0143	-0.3724	-0.035	0.3609	-0.0459	-0.2248	-0.0794	0.2254	0.0603	0.2777	-0.1299	-0.0935	0.4464	-0.0102	0.4071	32.1917	-3.2541	65.8719
38	2.2253	0.587	-0.5727	0.3529	0.0193	2.0005	0.0753	0.0219	0.149	-0.0917	-0.0996	-0.0853	-0.1675	0.1958	0.0242	0.1774	-0.0467	-0.0224	0.3014	0.01	0.4432	40.7958	0.5457	45.3966
39	3.689	1.5858	-1.8002	0.6879	-0.7755	0.8945	0.1259	-0.2733	-0.1494	0.0836	-0.1075	-0.0384	-0.0458	0.1742	-0.0184	0.2678	-0.0758	-0.1013	0.5712	0.0097	0.6196	53.5488	0.4778	55.1391
40	2.0799	-1.0344	0.3068	2.3686	0.0061	5.1414	0.0169	-0.2479	-0.2099	0.5173	0.0709	-0.693	0.0538	0.5233	-0.0878	0.2817	-0.0327	-0.0729	0.5325	0.0202	0.6139	53.7875	-6.8773	41.7695

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	19 - 79
2	X-RAY DIFFRACTION	2	A	80 - 103
3	X-RAY DIFFRACTION	3	A	104 - 170
4	X-RAY DIFFRACTION	4	A	171 - 229
5	X-RAY DIFFRACTION	5	A	230 - 287
6	X-RAY DIFFRACTION	6	A	288 - 358
7	X-RAY DIFFRACTION	7	A	359 - 403
8	X-RAY DIFFRACTION	8	A	404 - 451
9	X-RAY DIFFRACTION	9	A	452 - 490
10	X-RAY DIFFRACTION	10	A	491 - 520
11	X-RAY DIFFRACTION	11	B	19 - 38
12	X-RAY DIFFRACTION	12	B	40 - 108
13	X-RAY DIFFRACTION	13	B	109 - 164
14	X-RAY DIFFRACTION	14	B	165 - 214
15	X-RAY DIFFRACTION	15	B	215 - 282
16	X-RAY DIFFRACTION	16	B	283 - 358
17	X-RAY DIFFRACTION	17	B	359 - 417
18	X-RAY DIFFRACTION	18	B	418 - 458
19	X-RAY DIFFRACTION	19	B	459 - 501
20	X-RAY DIFFRACTION	20	B	502 - 520
21	X-RAY DIFFRACTION	21	C	19 - 56
22	X-RAY DIFFRACTION	22	C	57 - 79
23	X-RAY DIFFRACTION	23	C	80 - 227
24	X-RAY DIFFRACTION	24	C	228 - 292
25	X-RAY DIFFRACTION	25	C	296 - 372
26	X-RAY DIFFRACTION	26	C	373 - 429
27	X-RAY DIFFRACTION	27	C	430 - 450
28	X-RAY DIFFRACTION	28	C	451 - 470
29	X-RAY DIFFRACTION	29	C	474 - 489
30	X-RAY DIFFRACTION	30	C	491 - 519
31	X-RAY DIFFRACTION	31	D	23 - 78
32	X-RAY DIFFRACTION	32	D	83 - 101
33	X-RAY DIFFRACTION	33	D	104 - 115
34	X-RAY DIFFRACTION	34	D	212 - 229
35	X-RAY DIFFRACTION	35	D	231 - 265
36	X-RAY DIFFRACTION	36	D	266 - 298
37	X-RAY DIFFRACTION	37	D	299 - 372
38	X-RAY DIFFRACTION	38	D	373 - 448
39	X-RAY DIFFRACTION	39	D	449 - 471
40	X-RAY DIFFRACTION	40	D	474 - 520

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