PDB-5hw2: Crystal Structure of Adenylosuccinate Lyase from Francisella tula...

ID or keywords:

Entry

Database: PDB / ID: 5hw2

Title

Crystal Structure of Adenylosuccinate Lyase from Francisella tularensis Complexed with fumaric acid

Components

Adenylosuccinate lyase

Keywords

LYASE / Structural Genomics / Center for Structural Genomics of Infectious Diseases / CSGID

Function / homology

Function and homology information

adenylosuccinate lyase / N6-(1,2-dicarboxyethyl)AMP AMP-lyase (fumarate-forming) activity / (S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido) succinate lyase (fumarate-forming) activity / 'de novo' AMP biosynthetic process / 'de novo' IMP biosynthetic process / nucleotide binding / cytosol
Similarity search - Function

Biological species

Francisella tularensis subsp. tularensis (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.054 Å

Authors

Chang, C. / Maltseva, N. / Kim, Y. / Shatsman, S. / Anderson, W.F. / Joachimiak, A. / Center for Structural Genomics of Infectious Diseases (CSGID)

Citation

Journal: To Be Published
Title: Crystal Structure of Adenylosuccinate Lyase from Francisella tularensis Complexed with fumaric acid
Authors: Chang, C. / Maltseva, N. / Kim, Y. / Shatsman, S. / Anderson, W.F. / Joachimiak, A. / Center for Structural Genomics of Infectious Diseases (CSGID)

History

Deposition	Jan 28, 2016	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Feb 10, 2016	Provider: repository / Type: Initial release
Revision 1.1	Sep 27, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_oper_list Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_oper_list.symmetry_operation
Revision 2.0	Nov 15, 2023	Group: Atomic model / Data collection / Category: atom_site / chem_comp_atom / chem_comp_bond Item: _atom_site.auth_atom_id / _atom_site.label_atom_id ..._atom_site.auth_atom_id / _atom_site.label_atom_id / _chem_comp_atom.atom_id / _chem_comp_bond.atom_id_1 / _chem_comp_bond.atom_id_2

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5hw2.cif.gz	685.9 KB	Display	PDBx/mmCIF format
PDB format	pdb5hw2.ent.gz	568.2 KB	Display	PDB format
PDBx/mmJSON format	5hw2.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/hw/5hw2 ftp://data.pdbj.org/pub/pdb/validation_reports/hw/5hw2	HTTPS FTP

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Related structure data

Related structure data	4eeiS S: Starting model for refinement
Similar structure data	1i0a-d 1c3c-1 1tjw-d 1k62-1 1k7w-d 1dcn-d 1tj7-2 1hy1-d 7bzf-d 6iem-2 Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search
Other databases	TargetTrack: CSGID-IDP04633

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#127 - Jul 2010 Crystallins similarity (7) #154 - Oct 2012 Citric Acid Cycle similarity (7)

Deposited unit

A: Adenylosuccinate lyase

B: Adenylosuccinate lyase

C: Adenylosuccinate lyase

D: Adenylosuccinate lyase

hetero molecules

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

1

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	88.680, 88.680, 255.665
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	78
Space group name H-M	P4₃

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Protein , 1 types, 4 molecules ABCD

#1: Protein	Adenylosuccinate lyase Mass: 50183.594 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4) (bacteria) Strain: SCHU S4 / Schu 4 / Gene: purB, FTT_0015, BZ14_879 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)magic / References: UniProt: Q5NIQ1, adenylosuccinate lyase

#1: Protein

Adenylosuccinate lyase

Mass: 50183.594 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4) (bacteria)
Strain: SCHU S4 / Schu 4 / Gene: purB, FTT_0015, BZ14_879 / Production host:

Escherichia coli (E. coli) / Strain (production host): BL21(DE3)magic / References: UniProt: Q5NIQ1, adenylosuccinate lyase

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Non-polymers , 5 types, 1006 molecules

#2: Chemical	ChemComp-K / POTASSIUM ION Mass: 39.098 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Formula: K
#3: Chemical	ChemComp-FUM / FUMARIC ACID Mass: 116.072 Da / Num. of mol.: 3 / Source method: isolated from a natural source / Formula: C₄H₄O₄
#4: Chemical	ChemComp-PO4 / PHOSPHATE ION Mass: 94.971 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: PO₄
#5: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C₂H₆O₂
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 990 / 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: 2.54 Å³/Da / Density % sol: 51.63 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 6.9 / Details: 1.5 M Sodium/potassium phosphate

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 19-ID / Wavelength: 0.979206 Å

Detector

Type: ADSC QUANTUM 315r / Detector: CCD / Date: Mar 21, 2012

Radiation

Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 0.979206 Å / Relative weight: 1

Reflection twin

Operator: -h,k,-l / Fraction: 0.49

Reflection

Resolution: 2.05→50 Å / Num. obs: 120165 / % possible obs: 98.5 % / Redundancy: 5.7 % / R_merge(I) obs: 0.1 / R_pim(I) all: 0.043 / R_rim(I) all: 0.11 / Χ²: 1.119 / Net I/av σ(I): 15.892 / Net I/σ(I): 8.5 / Num. measured all: 683828

Reflection shell

Diffraction-ID: 1 / Rejects: _

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Num. unique all	CC_1/2	R_pim(I) all	R_rim(I) all	Χ²	% possible all
2.05-2.09	5.5	0.617	5999	0.815	0.276	0.679	0.698	98.6
2.09-2.12	5.6	0.536	6057	0.831	0.239	0.59	0.71	99.3
2.12-2.16	5.6	0.458	6035	0.899	0.203	0.504	0.757	99.3
2.16-2.21	5.7	0.399	6027	0.905	0.175	0.438	0.813	99.2
2.21-2.26	5.7	0.349	6045	0.914	0.152	0.383	0.869	99.2
2.26-2.31	5.7	0.302	6034	0.938	0.131	0.331	0.944	98.9
2.31-2.37	5.8	0.279	6010	0.947	0.119	0.305	0.984	99
2.37-2.43	5.8	0.242	6025	0.957	0.103	0.264	1.052	99.2
2.43-2.5	5.8	0.22	6043	0.958	0.093	0.24	1.13	98.6
2.5-2.58	5.8	0.192	5998	0.969	0.081	0.209	1.224	98.8
2.58-2.68	5.8	0.182	6008	0.962	0.077	0.199	1.302	98.4
2.68-2.78	5.7	0.156	5985	0.974	0.066	0.17	1.367	98.1
2.78-2.91	5.7	0.138	5946	0.973	0.059	0.151	1.413	97.9
2.91-3.06	5.6	0.117	5942	0.979	0.051	0.128	1.5	97.9
3.06-3.25	5.5	0.099	5960	0.984	0.043	0.108	1.561	97.7
3.25-3.51	5.4	0.084	5958	0.986	0.037	0.093	1.563	97.4
3.51-3.86	5.3	0.078	5944	0.988	0.034	0.086	1.598	97.5
3.86-4.42	5.3	0.067	5970	0.988	0.03	0.074	1.401	97.8
4.42-5.56	5.5	0.056	6031	0.988	0.025	0.061	1.062	98.4
5.56-50	7.1	0.041	6148	0.998	0.016	0.044	0.694	99.5

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Processing

Software

Name	Version	Classification
PHENIX	(1.10_2155: ???)	refinement
SCALEPACK		data scaling
PDB_EXTRACT	3.2	data extraction
HKL-3000		data reduction
MOLREP		phasing
SBC-Collect		data collection
Coot		model building

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 4EEI

4eei

Resolution: 2.054→36.432 Å / Cross valid method: FREE R-VALUE / σ(F): 1.47 / Phase error: 26.73 / Stereochemistry target values: TWIN_LSQ_F

	R_factor	Num. reflection	% reflection
R_free	0.2452	11829	5.23 %
R_work	0.1882	214694	-
obs	0.1919	113636	93.19 %

Solvent computation

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

Displacement parameters

B_iso max: 109.88 Å² / B_iso mean: 35.8537 Å² / B_iso min: 0 Å²

Refinement step

Cycle: final / Resolution: 2.054→36.432 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	13276	0	68	990	14334
B_iso mean	-	-	31.3	27.09	-
Num. residues	-	-	-	-	1673

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.008	13573
X-RAY DIFFRACTION	f_angle_d	0.498	18271
X-RAY DIFFRACTION	f_chiral_restr	0.045	2077
X-RAY DIFFRACTION	f_plane_restr	0.004	2338
X-RAY DIFFRACTION	f_dihedral_angle_d	13.884	8289

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
2.0553-2.0907	0.3371	388	0.2714	8509	8897	70
2.0907-2.1287	0.2921	432	0.267	9087	9519	75
2.1287-2.1696	0.351	470	0.2635	9475	9945	78
2.1696-2.2139	0.3036	524	0.2554	9706	10230	80
2.2139-2.262	0.3034	625	0.2561	9945	10570	82
2.262-2.3146	0.2838	621	0.2389	10297	10918	85
2.3146-2.3724	0.2769	551	0.2416	10945	11496	91
2.3724-2.4365	0.2906	560	0.2313	11252	11812	93
2.4365-2.5082	0.2839	584	0.2233	11310	11894	93
2.5082-2.589	0.2833	634	0.2185	11241	11875	94
2.589-2.6815	0.2851	610	0.2214	11399	12009	93
2.6815-2.7887	0.2714	640	0.2125	11261	11901	93
2.7887-2.9155	0.2748	582	0.209	11304	11886	93
2.9155-3.069	0.2643	546	0.1966	11276	11822	93
3.069-3.2609	0.282	616	0.1852	11279	11895	93
3.2609-3.5121	0.241	646	0.1668	11168	11814	92
3.5121-3.8645	0.2116	612	0.1492	11210	11822	93
3.8645-4.4213	0.1775	587	0.1334	11266	11853	93
4.4213-5.5613	0.1819	644	0.1354	11312	11956	93
5.5613-25.8779	0.1976	625	0.1636	11452	12077	95

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	0.6905	0.0886	0.1211	0.6511	0.2272	0.6005	-0.1482	-0.0127	0.2759	-0.3117	0.0789	-0.1289	-0.3523	0.1076	0.0306	0.3884	-0.0829	0.069	0.1176	-0.0026	0.2491	-10.0408	0.047	-0.2294
2	0.6163	-0.1825	0.0126	0.7229	-0.2193	0.545	0.0636	-0.0765	-0.044	-0.1495	-0.0833	0.2105	0.0377	-0.1074	-0.0128	0.1765	0.0024	-0.0238	0.2321	-0.0259	0.1089	-38.4441	-26.6782	-2.4978
3	0.007	-0.0604	-0.0035	0.5475	0.0672	0.0282	-0.0514	-0.1421	0.1494	-0.1431	-0.0436	0.0437	-0.0502	-0.0042	0.0764	0.3183	-0.0217	0.0056	0.2097	-0.0539	0.2603	-13.4014	4.0142	16.6479
4	0.6226	0.2905	0.1209	0.9277	0.0781	0.5404	-0.061	-0.0459	0.0394	-0.2259	0.0467	0.017	-0.0752	-0.0709	-0.0228	0.1836	-0.0042	-0.0072	0.1032	0.0039	0.1077	-23.7885	-17.5742	1.2401
5	0.1577	-0.0223	-0.0275	0.1652	0.0684	0.2184	0.0093	-0.0376	0.0339	-0.1292	0.0118	-0.0071	0.0153	0.028	-0.0267	0.2139	-0.035	0.0406	0.092	-0.0097	0.1302	-16.2009	-19.3267	1.8792
6	1.2466	0.3739	-0.2319	0.6434	0.1622	0.1613	-0.0045	-0.0267	-0.4603	-0.3503	-0.0636	0.2472	0.269	-0.1321	0.0863	0.4369	-0.1783	-0.1591	0.439	0.0314	0.4905	-53.5625	-46.3922	-4.0336
7	0.0079	0.0806	0.0317	1.8166	-1.3941	1.7135	0.0252	0.0217	0.0466	0.0617	0.0057	0.2833	-0.1046	-0.2902	-0.0692	0.6766	-0.186	-0.2998	0.589	0.0447	0.5894	-66.9636	-50.1047	-4.056
8	0.5499	-0.2697	-0.025	0.7716	-0.5583	0.4578	0.1685	-0.0033	-0.0346	-0.0842	0.1824	0.3149	-0.0462	-0.0958	0.0036	0.3085	-0.054	-0.2891	0.3096	-0.0742	0.2227	-52.1381	-24.3103	-5.8157
9	1.6486	0.5274	0.8208	0.3691	0.3201	0.7976	-0.1438	-0.0428	-0.1053	0.0034	-0.0523	0.3059	0.0807	0.0243	0.0513	0.1769	-0.0116	0.0406	0.5372	0.0678	0.1954	-41.9736	-33.7297	25.0742
10	0.4407	-0.355	-0.2473	1.9112	-0.3187	0.3021	0.0349	0.0333	0.057	0.1173	-0.0946	0.1087	-0.1128	-0.0462	0.009	0.2968	-0.0492	0.0551	0.5826	0.1193	0.4804	-59.3169	-38.0984	22.1711
11	0.0388	0.111	-0.0052	0.4122	-0.4104	1.2103	0.0507	-0.1609	-0.2535	-0.0413	0.02	0.1383	0.262	0.072	0.0012	0.2907	-0.1619	-0.0354	0.5225	0.1927	0.4981	-49.6578	-46.5613	19.4133
12	0.5435	0.1525	0.0229	0.7892	0.1176	0.327	-0.0424	-0.2125	0.0427	-0.0504	0.0291	0.0556	-0.1165	-0.1293	-0.0253	0.1169	-0.0003	0.0148	0.2722	-0.0226	0.1181	-27.8251	-17.3381	22.132
13	0.4372	-0.1252	-0.2618	0.6351	-0.1294	0.5939	0.0149	-0.1855	-0.0366	-0.0252	0.0283	-0.0268	-0.0316	-0.1452	-0.002	0.0568	0.0012	0.0248	0.2079	0.0385	0.1079	-25.0775	-28.4364	20.6149
14	0.1438	0.0628	-0.1117	0.5807	-0.4051	0.3965	-0.0379	-0.0683	0.206	-0.1727	0.1674	-0.232	-0.0735	0.0646	-0.0444	0.2652	-0.055	-0.0462	0.6298	-0.2758	0.3735	-2.4299	3.7916	31.8391
15	0.3628	-0.2432	0.2103	0.2655	-0.1441	0.1252	-0.0129	-0.0327	0.0584	-0.0133	-0.058	0.0229	-0.0145	-0.039	0.0165	0.6455	-0.203	0.0369	0.5563	-0.1853	0.9574	8.5238	19.1223	21.9356
16	0.8349	0.2685	-0.0342	0.2515	0.1521	0.1982	0.0364	0.0238	0.2471	-0.0491	-0.0112	-0.1307	-0.2719	0.0508	-0.0159	0.3354	-0.0237	-0.0137	0.2175	-0.113	0.3189	-10.2029	12.2834	28.1351
17	0.033	-0.0891	0.2826	0.3543	-0.0839	0.8113	-0.0921	-0.0567	-0.0383	0.0367	0.0879	-0.0909	0.1067	0.1436	0.0456	0.2843	-0.0448	0.0291	0.4875	0.1537	0.2043	-10.2279	-47.8991	39.4759
18	0.5909	0.4493	-0.153	0.7806	-0.0114	0.6981	-0.0768	-0.0921	0.0207	0.2149	0.0637	-0.0687	-0.0886	0.0017	0.004	0.1963	0.0019	-0.0083	0.4404	0.127	0.2013	-9.8038	-38.5812	48.7763
19	0.3635	0.0693	0.4363	0.1284	0.2226	1.2683	-0.184	-0.092	-0.3514	-0.0505	0.108	-0.0755	0.0709	0.0897	-0.0007	0.1589	-0.0146	0.0484	0.286	0.1659	0.3256	-11.5093	-51.3499	19.7369
20	0.038	-0.0706	0.1827	0.0941	-0.2422	0.5966	0.0586	0.0916	-0.218	-0.2327	0.0339	-0.1422	0.1022	0.1526	0.0042	0.7228	-0.1562	0.067	0.0475	-0.185	0.2296	-21.7279	-52.4538	-12.1491
21	0.571	0.3757	0.5315	0.6403	0.667	1.358	0.0623	-0.0796	-0.0792	-0.0639	0.0067	-0.1942	0.1438	0.2182	-0.0821	0.1583	-0.036	0.0475	0.1977	0.071	0.2979	-3.3745	-45.9321	18.327
22	0.5638	-0.4334	0.3621	1.5767	-0.3239	0.2048	0.0412	-0.0642	-0.0594	0.0503	0.0249	-0.2211	0.1834	0.3439	0.0268	0.2388	-0.066	0.0323	0.5683	0.1506	0.2219	4.6737	-41.7984	32.1168
23	0.1182	-0.1122	-0.046	0.2172	-0.1508	0.4962	0.1442	-0.0198	-0.1119	-0.0158	-0.0936	0.087	0.0176	-0.0837	0.0113	0.2812	-0.1298	0.0433	0.1295	0.037	0.262	-26.3572	-47.3882	5.5855
24	0.6842	0.081	-0.0746	0.4723	-0.1394	0.2316	0.1135	-0.1734	-0.1078	-0.6824	-0.2005	-0.0929	0.4013	0.0408	-0.0109	-0.286	-0.1679	0.0482	0.1856	0.1257	0.2039	-17.6911	-40.0618	18.1625
25	0.8076	0.4778	-1.2315	0.2777	-0.7073	1.8897	0.0786	-0.0294	0.0179	-0.0146	0.0035	0.0422	-0.0267	0.0416	-0.0517	0.8837	-0.1737	0.0168	0.326	-0.1052	0.3567	-22.0198	-55.003	-21.5916
26	1.1217	0.8762	-0.2207	0.6817	-0.1751	0.0475	0.067	0.1233	0.0365	-0.1653	0.1217	0.1351	0.0199	-0.1789	-0.0299	0.9539	-0.0625	0.0686	0.4869	-0.1843	0.4456	-16.0997	-54.845	-37.178
27	0.9135	0.1106	-0.2907	0.6594	-0.0272	0.0922	-0.0645	0.1689	-0.1575	-0.268	-0.1266	-0.008	0.0932	-0.0354	0.0015	0.4897	0.0713	0.0636	0.2081	-0.0754	0.3944	-12.7218	-60.7133	-12.3472
28	0.4671	0.2417	0.1542	0.4125	-0.1007	0.2255	0.0378	0.0176	-0.0465	-0.1502	0.0183	-0.1034	-0.0234	0.1475	-0.0815	0.4044	-0.0514	0.1533	0.1931	0.0274	0.2254	3.1579	-34.7927	-16.9833
29	0.2894	0.0276	0.0892	0.3363	-0.1481	0.2356	0.0417	0.0367	0.0153	0.0061	0.0314	0.0442	0.1948	0.0103	-0.0022	0.6133	-0.0126	0.218	0.2737	-0.0331	0.0937	-5.7129	-34.5724	-25.909
30	0.5478	0.1676	0.501	0.5923	0.6684	1.8563	0.0139	-0.1166	-0.0867	-0.2087	-0.0187	-0.2238	0.1804	0.3264	0.0132	0.1219	-0.0375	0.2302	0.2367	0.0715	0.3539	7.0059	-32.4949	3.7941
31	0.2137	0.125	0.0311	0.4346	0.1775	1.0309	-0.1106	-0.24	-0.1329	-0.131	-0.0259	-0.2228	0.3479	0.2467	0.0547	0.2819	0.0172	0.1454	0.2548	0.0349	0.3489	3.5845	-35.1748	14.3553
32	0.2971	-0.2279	-0.0582	0.1149	-0.1172	0.714	-0.0049	-0.3129	-0.1271	-0.2256	-0.0049	-0.2406	-0.0571	0.1381	0.0203	0.2004	-0.0012	0.1555	0.1167	0.0504	0.2849	0.9417	-30.0406	8.16
33	0.6335	0.0497	0.307	0.5096	0.1347	0.7575	-0.0332	-0.141	0.134	-0.1735	-0.0396	-0.1257	-0.0687	0.1112	-0.0129	0.2301	-0.0144	0.1226	0.2353	0.0276	0.202	-1.034	-24.6547	10.2927
34	1.9086	0.951	-0.7975	0.5759	-0.1765	1.6394	0.053	-0.2963	-0.0993	0.3192	0.0176	-0.0131	-0.0358	0.1046	0.0213	0.2753	-0.0597	-0.0815	0.6908	0.0164	0.4285	6.0622	-29.4712	55.5675
35	-0.0004	0.0051	0.0017	-0.005	0.0002	0.0002	0.006	-0.2365	-0.0385	0.2384	-0.0323	-0.0263	0.0217	0.1083	0.0277	0.3945	-0.077	-0.0916	0.7729	0.0284	0.4864	14.9367	-27.9558	60.5834
36	0.0335	0.0757	0.2511	0.1641	0.6213	1.9649	-0.2446	0.102	0.0108	-0.1348	-0.0688	-0.207	-0.1733	0.0996	0.0561	0.0413	-0.1783	-0.0399	0.7321	0.1569	0.5795	16.4658	-31.7831	34.9114

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 1 through 130 )	A	1 - 130
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 131 through 173 )	A	131 - 173
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 174 through 191 )	A	174 - 191
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 192 through 271 )	A	192 - 271
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 272 through 333 )	A	272 - 333
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 334 through 387 )	A	334 - 387
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 388 through 410 )	A	388 - 410
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 411 through 438 )	A	411 - 438
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 1 through 36 )	B	1 - 36
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 37 through 54 )	B	37 - 54
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 55 through 93 )	B	55 - 93
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 94 through 271 )	B	94 - 271
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 272 through 332 )	B	272 - 332
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 333 through 362 )	B	333 - 362
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 363 through 398 )	B	363 - 398
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 399 through 433 )	B	399 - 433
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 1 through 54 )	C	1 - 54
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 55 through 93 )	C	55 - 93
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 94 through 130 )	C	94 - 130
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 131 through 150 )	C	131 - 150
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 151 through 191 )	C	151 - 191
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 192 through 216 )	C	192 - 216
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 217 through 271 )	C	217 - 271
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 272 through 336 )	C	272 - 336
25	X-RAY DIFFRACTION	25	chain 'C' and (resid 337 through 363 )	C	337 - 363
26	X-RAY DIFFRACTION	26	chain 'C' and (resid 364 through 410 )	C	364 - 410
27	X-RAY DIFFRACTION	27	chain 'C' and (resid 411 through 431 )	C	411 - 431
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 1 through 54 )	D	1 - 54
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 55 through 93 )	D	55 - 93
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 94 through 131 )	D	94 - 131
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 132 through 191 )	D	132 - 191
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 192 through 271 )	D	192 - 271
33	X-RAY DIFFRACTION	33	chain 'D' and (resid 272 through 349 )	D	272 - 349
34	X-RAY DIFFRACTION	34	chain 'D' and (resid 350 through 387 )	D	350 - 387
35	X-RAY DIFFRACTION	35	chain 'D' and (resid 388 through 410 )	D	388 - 410
36	X-RAY DIFFRACTION	36	chain 'D' and (resid 411 through 431 )	D	411 - 431

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