PDB-4k9d: X-ray crystal structure of a Glyceraldehyde 3-phosphate dehydroge...

ID or keywords:

Entry

Database: PDB / ID: 4k9d

Title

X-ray crystal structure of a Glyceraldehyde 3-phosphate dehydrogenase from Brugia malayi bound to the co-factor NAD

Components

Glyceraldehyde-3-phosphate dehydrogenase

Keywords

OXIDOREDUCTASE / Structural Genomics / NIAID / National Institute of Allergy and Infectious Diseases / Seattle Structural Genomics Center for Infectious Disease / SSGCID

Function / homology

Function and homology information

glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) / glyceraldehyde-3-phosphate dehydrogenase (NAD+) (phosphorylating) activity / glycolytic process / glucose metabolic process / NAD binding / NADP binding / cytosol
Similarity search - Function

Biological species

Brugia malayi (agent of lymphatic filariasis)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 2.1 Å

Authors

Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Citation

Journal: TO BE PUBLISHED
Title: X-ray crystal structure of a Glyceraldehyde 3-phosphate dehydrogenase from Brugia malayi bound to the co-factor NAD
Authors: Fairman, J.W. / Fox, D. / Lukacs, C.M. / Edwards, T.E. / Lorimer, D.

History

Deposition	Apr 19, 2013	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 1, 2013	Provider: repository / Type: Initial release
Revision 1.1	Sep 20, 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 / struct_ref_seq_dif / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4k9d.cif.gz	1000.2 KB	Display	PDBx/mmCIF format
PDB format	pdb4k9d.ent.gz	834.6 KB	Display	PDB format
PDBx/mmJSON format	4k9d.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	4k9d_validation.pdf.gz	2.6 MB	Display	wwPDB validaton report
Full document	4k9d_full_validation.pdf.gz	2.6 MB	Display
Data in XML	4k9d_validation.xml.gz	101.9 KB	Display
Data in CIF	4k9d_validation.cif.gz	140.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/k9/4k9d ftp://data.pdbj.org/pub/pdb/validation_reports/k9/4k9d	HTTPS FTP

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Related structure data

Related structure data	1j0xS S: Starting model for refinement
Similar structure data	5tso-1 3cps-3 1nq5-1 6ok4-d 6iqm-d 1nq5-3 1nqo-1 1gd1-d 3rvd-2 4p8r-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
Other databases	TargetTrack: BrmaA.00855.a

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#50 - Feb 2004 Glycolytic Enzymes similarity (10)

Deposited unit

A: Glyceraldehyde-3-phosphate dehydrogenase

B: Glyceraldehyde-3-phosphate dehydrogenase

C: Glyceraldehyde-3-phosphate dehydrogenase

D: Glyceraldehyde-3-phosphate dehydrogenase

E: Glyceraldehyde-3-phosphate dehydrogenase

F: Glyceraldehyde-3-phosphate dehydrogenase

G: Glyceraldehyde-3-phosphate dehydrogenase

H: Glyceraldehyde-3-phosphate dehydrogenase

hetero molecules

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

1

A: Glyceraldehyde-3-phosphate dehydrogenase

D: Glyceraldehyde-3-phosphate dehydrogenase

E: Glyceraldehyde-3-phosphate dehydrogenase

H: Glyceraldehyde-3-phosphate dehydrogenase

hetero molecules

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

2

B: Glyceraldehyde-3-phosphate dehydrogenase

C: Glyceraldehyde-3-phosphate dehydrogenase

F: Glyceraldehyde-3-phosphate dehydrogenase

G: Glyceraldehyde-3-phosphate dehydrogenase

hetero molecules

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

Unit cell

Length a, b, c (Å)	87.760, 176.990, 94.250
Angle α, β, γ (deg.)	90.000, 101.120, 90.000
Int Tables number	4
Space group name H-M	P12₁1

Details

AS PER THE AUTHORS THE BIOLOGICAL ASSEMBLY IS UNKNOWN

#1: Protein	Glyceraldehyde-3-phosphate dehydrogenase Mass: 37275.344 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Brugia malayi (agent of lymphatic filariasis) Gene: Bm1_41940 / Production host: Escherichia coli (E. coli) References: UniProt: A8Q3K8, UniProt: P48812*PLUS, glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)
#2: Chemical	ChemComp-NAD / NICOTINAMIDE-ADENINE-DINUCLEOTIDE Mass: 663.425 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C₂₁H₂₇N₇O₁₄P₂ / Comment: NAD*YM
#3: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₂H₆O₂
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 909 / 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: 2.41 Å³/Da / Density % sol: 48.93 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 5.5 Details: MCSG1 A7: 0.2 M magnesium chloride, 0.1 M BIS-TRIS pH 5.5, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 289K

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

SSRL

/ Beamline: BL7-1 / Wavelength: 1.13 Å

Detector

Type: ADSC QUANTUM 315r / Detector: CCD / Date: Feb 17, 2013

Radiation

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

Radiation wavelength

Wavelength: 1.13 Å / Relative weight: 1

Reflection

Resolution: 2.1→50 Å / Num. all: 163886 / Num. obs: 159461 / % possible obs: 97.3 % / Observed criterion σ(I): -3 / B_iso Wilson estimate: 36.572 Å² / R_merge(I) obs: 0.08 / Net I/σ(I): 10.64

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Highest resolution (Å)	R_merge(I) obs	Mean I/σ(I) obs	Num. measured obs	Num. unique obs	% possible all
2.1-2.15		0.553	2.14	35502	11989	99.1
2.15-2.21		0.467	2.53	34556	11640	99
2.21-2.28		0.439	2.85	33243	11274	98.2
2.28-2.35		0.381	3.22	32331	10930	98
2.35-2.42		0.291	3.96	31882	10640	98.5
2.42-2.51		0.252	4.52	30924	10307	98.3
2.51-2.6		0.199	5.6	29758	9916	98.5
2.6-2.71		0.168	6.64	28675	9512	98.1
2.71-2.83		0.14	7.78	27558	9135	97.9
2.83-2.97		0.113	9.37	26218	8679	97.8
2.97-3.13		0.087	11.76	25091	8275	97.4
3.13-3.32		0.067	14.99	23410	7737	97.1
3.32-3.55		0.052	18.97	21980	7294	96.7
3.55-3.83		0.046	21.25	20387	6768	96.1
3.83-4.2		0.039	24.91	18553	6163	95.6
4.2-4.7		0.035	28.23	16676	5571	95
4.7-5.42		0.035	28.42	14373	4814	93.5
5.42-6.64		0.034	27.05	12896	4121	94
6.64-9.39		0.027	32.73	10018	3164	93.1
	9.39	0.022	36.28	4779	1532	81.2

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Phasing

Phasing	Method: molecular replacement

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Processing

Software

Name	Version	Classification
XSCALE		data scaling
PHASER		phasing
PHENIX	dev_1255	refinement
PDB_EXTRACT	3.11	data extraction
XDS		data reduction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB entry 1J0X

1j0x

Resolution: 2.1→19.868 Å / Occupancy max: 1 / Occupancy min: 0.21 / FOM work R set: 0.8453 / SU ML: 0.23 / σ(F): 1.36 / Phase error: 23.3 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2297	8003	5.02 %	RANDOM
R_work	0.1845	-	-	-
obs	0.1868	159447	97.43 %	-
all	-	163886	-	-

Solvent computation

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

Displacement parameters

B_iso max: 116.54 Å² / B_iso mean: 39.6733 Å² / B_iso min: 9.57 Å²

Refinement step

Cycle: LAST / Resolution: 2.1→19.868 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	19417	0	376	909	20702

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.008	20324
X-RAY DIFFRACTION	f_angle_d	1.15	27821
X-RAY DIFFRACTION	f_chiral_restr	0.05	3286
X-RAY DIFFRACTION	f_plane_restr	0.006	3584
X-RAY DIFFRACTION	f_dihedral_angle_d	15.164	7022

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 30

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
2.1-2.1238	0.2705	302	0.2406	5049	5351	99
2.1238-2.1488	0.3188	261	0.2476	5148	5409	99
2.1488-2.175	0.3074	267	0.2434	5129	5396	99
2.175-2.2024	0.2699	248	0.2262	5156	5404	99
2.2024-2.2314	0.2905	273	0.2253	5082	5355	99
2.2314-2.2619	0.2862	291	0.232	5052	5343	98
2.2619-2.2942	0.3341	288	0.2703	5014	5302	97
2.2942-2.3284	0.2709	285	0.2322	5066	5351	99
2.3284-2.3647	0.2785	243	0.2073	5099	5342	99
2.3647-2.4034	0.2685	279	0.2055	5103	5382	99
2.4034-2.4448	0.2593	282	0.2089	5098	5380	99
2.4448-2.4892	0.2669	283	0.1953	5096	5379	99
2.4892-2.5369	0.2418	262	0.1973	5080	5342	98
2.5369-2.5886	0.2574	264	0.1932	5085	5349	98
2.5886-2.6448	0.2325	259	0.1876	5088	5347	98
2.6448-2.7061	0.274	260	0.187	5094	5354	98
2.7061-2.7737	0.2351	262	0.193	5085	5347	98
2.7737-2.8484	0.2701	264	0.1946	5056	5320	98
2.8484-2.932	0.2572	286	0.1941	5093	5379	98
2.932-3.0263	0.2498	290	0.1954	5025	5315	98
3.0263-3.1341	0.2355	253	0.1901	5075	5328	97
3.1341-3.259	0.2305	260	0.187	5034	5294	97
3.259-3.4067	0.2147	260	0.1749	5010	5270	97
3.4067-3.5853	0.2138	251	0.1764	5031	5282	97
3.5853-3.8084	0.2049	280	0.1753	4965	5245	96
3.8084-4.1001	0.2089	250	0.1581	4995	5245	96
4.1001-4.5084	0.1753	245	0.1475	4946	5191	95
4.5084-5.1508	0.1817	245	0.1487	4914	5159	94
5.1508-6.4523	0.2024	259	0.1748	4879	5138	94
6.4523-19.8687	0.188	251	0.1665	4897	5148	93

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	1.0023	0.3311	0.0973	1.5915	-0.4131	2.4822	0.22	-0.1198	0.2061	-0.0062	0.1069	0.0173	-0.3206	0.3171	-0.3161	0.1582	-0.0702	0.0478	0.2521	-0.0303	0.2866	17.8721	46.4635	-3.7579
2	4.6013	3.9549	0.4638	5.1159	-0.2521	0.9361	-0.0753	0.0372	0.0388	-0.4577	0.2847	-0.7473	-0.1806	0.8663	-0.1866	0.303	-0.0341	0.0782	0.4497	-0.1451	0.3887	23.8432	40.2408	-3.253
3	1.8531	0.4952	0.2107	1.4062	0.1787	2.1185	0.0973	0.121	0.4914	-0.038	0.1872	0.2432	-0.5547	-0.0071	-0.29	0.302	-0.0101	0.1409	0.248	0.086	0.3916	10.0645	56.2096	-14.41
4	0.0714	-0.0143	0.0236	0.3885	-0.166	0.0832	-0.0547	0.4992	0.2932	0.0378	0.1368	0.0127	-0.5733	-0.6111	0.02	0.295	0.0766	-0.0141	0.5376	0.1925	0.3726	-8.6518	44.8335	-6.5671
5	0.9716	-0.3526	-0.1839	0.6413	0.4456	0.4205	0.1144	0.5662	0.2503	-0.3443	0.3163	0.0817	0.1134	-0.6433	0.0163	0.2933	-0.1212	-0.113	0.5476	0.2003	0.2627	-0.5888	38.9498	-21.7412
6	2.2977	0.682	0.256	1.7608	-0.6957	0.8754	0.1308	-0.0329	-0.1907	0.1963	-0.1032	-0.112	0.0381	0.2022	-0.0219	0.1731	-0.0101	0.0026	0.1652	-0.0151	0.2495	60.8386	67.7995	51.0741
7	1.014	-0.1252	0.4063	1.7242	-0.7958	1.2386	0.0873	-0.1249	-0.0323	0.5361	-0.1311	-0.3458	-0.2499	0.3467	0.0399	0.2741	-0.0813	-0.0702	0.2592	-0.0128	0.2261	65.7916	84.3231	53.7913
8	0.9313	0.566	-0.4351	1.0843	-0.343	0.7433	0.0878	-0.1034	0.1812	0.1227	-0.0425	0.0495	-0.1679	0.1928	-0.056	0.2061	-0.0392	0.0023	0.1384	-0.0016	0.1831	45.6229	91.8966	48.4512
9	2.2227	-2.5461	0.3887	3.814	-0.621	0.7979	0.038	0.2034	0.1219	-0.4258	-0.0344	-0.1741	-0.1518	0.0657	-0.0228	0.4123	-0.1457	0.0705	0.3301	0.0287	0.2411	56.6981	96.649	27.3868
10	0.5029	0.3665	-0.2323	0.9563	0.18	0.4849	-0.0294	0.1771	0.0655	-0.1736	0.0386	-0.1334	-0.095	0.1173	0.008	0.2025	-0.0504	0.0411	0.1917	-0.0019	0.182	54.4843	86.7442	36.5428
11	1.9655	-1.1891	0.3497	2.0441	-0.9328	1.6232	-0.0998	0.1363	0.2533	-0.2658	0.0794	0.5605	-0.0541	-0.4778	0.0002	0.1875	-0.0044	-0.0503	0.2893	0.0427	0.3841	9.7528	82.2527	38.8129
12	4.0161	-0.6242	3.4314	2.4715	-0.5496	7.1751	0.0083	-0.0617	0.238	0.0391	0.0107	0.7165	-0.1134	-0.8286	-0.0421	0.246	-0.0661	0.0255	0.395	0.0445	0.5074	2.4967	78.6439	44.661
13	0.8137	0.6178	-0.1891	1.2766	0.2182	0.7946	-0.1364	0.4312	0.3876	-0.6226	0.1599	0.4204	-0.1547	-0.405	0.0067	0.4184	0.0092	-0.1354	0.3982	0.1649	0.5001	14.6336	96.2791	30.6674
14	0.8261	-0.2488	-0.2949	0.9793	0.5006	0.7553	-0.0696	0.3301	0.2097	-0.2943	0.0706	0.183	-0.2354	-0.0172	-0.0094	0.2019	-0.0296	-0.0357	0.166	0.0378	0.1894	33.6326	85.6154	32.4276
15	0.7489	0.127	-0.1355	0.7865	-0.2156	0.792	0.022	-0.0016	0.3314	0.1446	0.0186	0.3631	-0.2775	-0.0774	-0.0241	0.269	0.0017	0.0311	0.1375	0.0062	0.3347	28.3974	100.0001	45.2255
16	1.1141	-0.4224	0.0881	1.8281	0.4867	0.708	-0.0256	0.2661	0.5823	0.2472	0.1589	0.1944	-0.4626	-0.4719	-0.0526	0.4222	0.2091	0.1072	0.4678	0.1667	0.579	-16.6678	48.8637	17.3067
17	1.1381	-0.6686	0.1911	1.4567	-0.514	1.0517	-0.1493	-0.1336	0.83	0.547	0.228	0.0462	-0.6676	-0.4228	-0.0275	0.5706	0.1697	0.0638	0.3917	0.009	0.6655	-10.554	51.3932	27.9196
18	1.0502	0.0922	-0.3139	0.7957	-0.2304	1.4119	-0.1095	-0.2138	0.0947	0.2832	0.1615	0.0526	0.0276	0.1234	-0.0563	0.2834	0.074	-0.0475	0.207	-0.014	0.1908	3.4581	31.4893	24.053
19	6.0187	-4.6769	-2.5557	9.0069	3.034	2.4295	-0.4078	-0.5187	-0.4136	0.5864	0.1649	0.2525	0.1999	-0.1654	0.2239	0.4537	0.0731	0.1222	0.407	0.1343	0.2904	-11.5149	20.9353	35.9356
20	1.1279	0.5042	0.3643	0.4563	-0.4606	1.8267	-0.1206	-0.1615	-0.0135	0.1942	0.1091	0.225	0.3104	-0.3004	-0.0279	0.2807	0.0349	0.0379	0.2563	0.0584	0.2075	-9.2587	28.7447	26.8143
21	0.1917	-0.5541	-0.1773	2.5446	0.23	1.5353	-0.1763	0.1501	-0.2933	-0.3254	0.1017	-0.0733	1.3103	0.2659	0.0717	1.0654	0.0855	0.0497	0.3464	0.0014	0.348	10.7991	12.5037	-11.4479
22	2.1591	-0.7276	-0.1439	0.564	0.2296	1.6762	-0.0004	-0.1725	-0.0686	0.0922	0.1673	-0.1491	0.5975	-0.0304	-0.0885	1.7356	0.23	0.0882	0.5112	-0.0045	0.548	12.2831	0.3099	-12.1258
23	0.2961	0.1198	0.2574	0.9258	-0.3496	0.4764	0.0533	0.0033	-0.413	-0.1952	0.1444	0.0865	0.6685	0.1759	-0.0616	1.4426	0.4529	0.0566	0.3398	0.0965	0.5179	13.7072	-0.2026	4.887
24	0.3892	-0.3718	-0.2951	0.9679	-0.6275	1.8681	-0.1355	-0.1092	-0.3386	-0.1125	0.1164	0.0648	1.0919	0.0787	-0.1315	0.6523	0.0542	-0.0032	0.2882	0.0409	0.263	4.4784	16.1639	14.4149
25	0.7106	-0.258	0.5397	0.9169	-0.7913	1.1816	-0.0969	-0.1021	-0.1179	-0.0693	-0.0925	-0.1994	0.8316	0.8647	0.1087	0.5151	0.2569	0.0025	0.4927	0.0895	0.2716	16.7809	20.5192	14.1278
26	0.4001	0.0942	-0.3388	1.8239	1.112	1.7679	-0.1133	0.4223	-0.0331	-0.5445	0.2077	-0.1103	0.2048	0.3061	-0.0955	0.3381	-0.079	0.0492	0.3324	-0.064	0.2378	44.3231	66.5505	21.1182
27	3.0221	-0.3757	-1.6138	1.6184	-0.0527	0.905	0.1975	0.4119	-0.2614	-0.2347	0.2829	-0.0009	0.4735	0.449	-0.4459	0.8324	-0.1298	-0.0932	0.6767	-0.1925	0.351	40.8614	64.9196	12.8929
28	0.6263	-0.1919	0.0368	0.308	0.0767	1.0272	-0.0706	0.4037	-0.1939	-0.5705	0.2236	0.3168	0.1485	0.07	-0.0964	0.537	-0.143	-0.0912	0.3503	-0.0991	0.3977	33.0429	49.9921	22.2751
29	0.7584	-0.0975	-0.2471	1.5595	0.0063	0.6539	-0.0181	0.0796	-0.1572	-0.108	0.0832	0.2057	0.1749	-0.0717	-0.0634	0.1608	-0.0592	0.0027	0.1558	-0.0381	0.2219	25.4922	61.0071	41.0988
30	0.7217	0.2236	0.0445	1.0143	-0.1202	0.9339	0.0013	0.0784	-0.3226	-0.0536	0.0026	-0.082	0.196	0.0119	-0.0048	0.2142	-0.025	0.0068	0.1266	-0.0549	0.3027	37.7932	49.3868	42.0452
31	0.231	0.5382	-0.2151	1.7446	-0.5451	2.498	0.2543	-0.2387	0.1888	0.0735	-0.1522	0.0353	-0.2887	-0.0881	-0.0931	0.2274	-0.0242	0.0983	0.2363	-0.0456	0.2312	25.2542	82.6921	69.7763
32	7.8875	1.849	1.8159	3.2475	1.101	3.7267	0.0741	-0.3378	0.1398	0.1024	-0.0411	0.325	-0.2455	-0.2962	-0.0146	0.5392	0.1092	0.1807	0.4657	-0.0293	0.3764	19.4534	89.7053	74.4729
33	1.0834	0.4881	-0.0995	1.4059	0.1609	1.3837	0.2174	-0.5919	-0.2672	0.4701	-0.3116	-0.2142	-0.032	0.0351	0.1124	0.3356	-0.1236	0.0137	0.4115	0.1201	0.3059	25.7673	66.5799	77.1786
34	0.7303	0.3369	-0.4646	1.0872	-0.2732	0.5978	0.0231	-0.1465	-0.3405	0.1087	-0.0494	0.1417	0.1259	-0.1049	0.0254	0.2196	-0.0359	0.0277	0.1596	0.0408	0.2995	28.8408	57.428	57.0265
35	0.6793	-0.0352	-0.0002	0.6133	0.0479	0.7638	0.0447	-0.111	-0.2201	0.1179	-0.0839	0.1475	0.1108	-0.1699	0.0398	0.1616	-0.0421	0.0653	0.1806	0.016	0.3211	15.7377	62.7047	58.8193
36	0.8171	0.773	0.091	1.4257	-0.3518	0.2831	-0.3136	0.5626	-0.133	-0.1987	0.1971	0.4042	0.5774	-0.7414	0.0075	0.697	-0.5658	0.0843	1.068	0.0586	0.4489	-26.946	15.2066	9.4005
37	0.8629	0.4705	-0.1463	0.2631	-0.0827	0.1171	0.0166	-0.0545	-0.0762	-0.1478	0.1282	-0.0207	0.1833	-0.0576	0.0292	1.2596	-0.9108	0.034	1.3474	-0.0197	0.486	-30.9	8.762	-4.6065
38	0.5829	0.0325	0.3241	0.0035	0.004	0.9254	0.012	0.3467	-0.2462	-0.1979	0.2315	0.2787	0.6665	-1.2054	-0.0989	0.4084	-0.4724	-0.1208	1.2393	0.2065	0.4874	-21.2254	25.7347	-12.6282
39	1.0203	-0.5005	0.8958	0.2461	-0.4403	0.7771	-0.0128	0.4535	0.1187	-0.1302	0.1604	0.1515	0.012	-0.7068	0.094	0.2228	-0.2313	-0.2497	1.1263	0.2777	0.4268	-22.8384	36.2899	-15.0063
40	0.6673	-0.2827	0.2834	0.1218	-0.0243	1.4508	-0.0272	0.1862	0.2604	-0.0799	-0.0077	0.1106	0.0945	-0.9165	-0.2047	0.1593	-0.0073	-0.1545	1.3005	0.3533	0.4514	-25.7834	36.4916	-5.8899

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 3:50)	A	3 - 50
2	X-RAY DIFFRACTION	2	(chain A and resid 51:76)	A	51 - 76
3	X-RAY DIFFRACTION	3	(chain A and resid 77:172)	A	77 - 172
4	X-RAY DIFFRACTION	4	(chain A and resid 173:220)	A	173 - 220
5	X-RAY DIFFRACTION	5	(chain A and resid 221:339)	A	221 - 339
6	X-RAY DIFFRACTION	6	(chain B and resid 3:71)	B	3 - 71
7	X-RAY DIFFRACTION	7	(chain B and resid 72:172)	B	72 - 172
8	X-RAY DIFFRACTION	8	(chain B and resid 173:254)	B	173 - 254
9	X-RAY DIFFRACTION	9	(chain B and resid 255:275)	B	255 - 275
10	X-RAY DIFFRACTION	10	(chain B and resid 276:339)	B	276 - 339
11	X-RAY DIFFRACTION	11	(chain C and resid 3:54)	C	3 - 54
12	X-RAY DIFFRACTION	12	(chain C and resid 55:73)	C	55 - 73
13	X-RAY DIFFRACTION	13	(chain C and resid 74:179)	C	74 - 179
14	X-RAY DIFFRACTION	14	(chain C and resid 180:225)	C	180 - 225
15	X-RAY DIFFRACTION	15	(chain C and resid 226:339)	C	226 - 339
16	X-RAY DIFFRACTION	16	(chain D and resid 3:55)	D	3 - 55
17	X-RAY DIFFRACTION	17	(chain D and resid 56:162)	D	56 - 162
18	X-RAY DIFFRACTION	18	(chain D and resid 163:260)	D	163 - 260
19	X-RAY DIFFRACTION	19	(chain D and resid 261:276)	D	261 - 276
20	X-RAY DIFFRACTION	20	(chain D and resid 277:339)	D	277 - 339
21	X-RAY DIFFRACTION	21	(chain E and resid 3:70)	E	3 - 70
22	X-RAY DIFFRACTION	22	(chain E and resid 71:98)	E	71 - 98
23	X-RAY DIFFRACTION	23	(chain E and resid 99:155)	E	99 - 155
24	X-RAY DIFFRACTION	24	(chain E and resid 156:224)	E	156 - 224
25	X-RAY DIFFRACTION	25	(chain E and resid 225:339)	E	225 - 339
26	X-RAY DIFFRACTION	26	(chain F and resid 3:71)	F	3 - 71
27	X-RAY DIFFRACTION	27	(chain F and resid 72:88)	F	72 - 88
28	X-RAY DIFFRACTION	28	(chain F and resid 89:170)	F	89 - 170
29	X-RAY DIFFRACTION	29	(chain F and resid 171:214)	F	171 - 214
30	X-RAY DIFFRACTION	30	(chain F and resid 215:339)	F	215 - 339
31	X-RAY DIFFRACTION	31	(chain G and resid 3:62)	G	3 - 62
32	X-RAY DIFFRACTION	32	(chain G and resid 63:76)	G	63 - 76
33	X-RAY DIFFRACTION	33	(chain G and resid 77:172)	G	77 - 172
34	X-RAY DIFFRACTION	34	(chain G and resid 173:267)	G	173 - 267
35	X-RAY DIFFRACTION	35	(chain G and resid 268:339)	G	268 - 339
36	X-RAY DIFFRACTION	36	(chain H and resid 3:89)	H	3 - 89
37	X-RAY DIFFRACTION	37	(chain H and resid 90:128)	H	90 - 128
38	X-RAY DIFFRACTION	38	(chain H and resid 129:214)	H	129 - 214
39	X-RAY DIFFRACTION	39	(chain H and resid 215:272)	H	215 - 272
40	X-RAY DIFFRACTION	40	(chain H and resid 273:338)	H	273 - 338

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