PDB-5hw8: Candida albicans FKBP12 P104G protein bound with FK506 in C2 spac...

ID or keywords:

Entry

Database: PDB / ID: 5hw8

Title

Candida albicans FKBP12 P104G protein bound with FK506 in C2 space group

Components

FK506-binding protein 1

Keywords

ISOMERASE /

FKBP12 /

prolyl isomerase /

FK506

Function / homology

Function and homology information

regulation of homoserine biosynthetic process / fungal biofilm matrix /

macrolide binding /

peptidylprolyl isomerase /

peptidyl-prolyl cis-trans isomerase activity /

protein folding / chromatin organization / extracellular region /

cytoplasm
Similarity search - Function

Biological species

Candida albicans (yeast)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.86 Å

Authors

Tonthat, N.K. / Schumacher, M.A.

Citation

Journal: Mbio / Year: 2016
Title: Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function.
Authors: Tonthat, N.K. / Juvvadi, P.R. / Zhang, H. / Lee, S.C. / Venters, R. / Spicer, L. / Steinbach, W.J. / Heitman, J. / Schumacher, M.A.

History

Deposition	Jan 28, 2016	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Sep 14, 2016	Provider: repository / Type: Initial release
Revision 1.1	Mar 6, 2024	Group: Data collection / Database references / Derived calculations Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_struct_oper_list Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_oper_list.symmetry_operation

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5hw8.cif.gz	365 KB	Display	PDBx/mmCIF format
PDB format	pdb5hw8.ent.gz	305.3 KB	Display	PDB format
PDBx/mmJSON format	5hw8.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/hw/5hw8 ftp://data.pdbj.org/pub/pdb/validation_reports/hw/5hw8	HTTPS FTP

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Related structure data

Related structure data	5ht1C 5htgC 5huaC 5hw6C 5hw7C 5hwbC 5hwcC 5i98C 5j6eC C: citing same article (ref.)
Similar structure data	6vct-d 1fkj-d 4iqc-2 6fys-2 6vcu-1 6vrx-1 1fkb-d 6r0s-1 1bkf-d 1o42-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) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) 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

Related structure data

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#163 - Jul 2013 HIV Capsid similarity (1) #245 - May 2020 Spliceosomes similarity (1)

Deposited unit

A: FK506-binding protein 1

B: FK506-binding protein 1

C: FK506-binding protein 1

D: FK506-binding protein 1

E: FK506-binding protein 1

F: FK506-binding protein 1

G: FK506-binding protein 1

H: FK506-binding protein 1

hetero molecules

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

1

A: FK506-binding protein 1

hetero molecules

defined by author&software
13.8 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: FK506-binding protein 1

hetero molecules

defined by author&software
13.8 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: FK506-binding protein 1

hetero molecules

defined by author&software
13.8 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

D: FK506-binding protein 1

hetero molecules

defined by author&software
13.8 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

5

E: FK506-binding protein 1

hetero molecules

defined by author&software
13.8 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

6

F: FK506-binding protein 1

hetero molecules

defined by author&software
13.8 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

7

G: FK506-binding protein 1

hetero molecules

defined by author&software
13.8 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

8

H: FK506-binding protein 1

hetero molecules

defined by author&software
13.8 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	115.423, 84.184, 116.724
Angle α, β, γ (deg.)	90.000, 109.810, 90.000
Int Tables number	5
Space group name H-M	C121

Components on special symmetry positions

ID	Model	Components
1	1	G-304- HOH

#1: Protein	FK506-binding protein 1 / FKBP / Peptidyl-prolyl cis-trans isomerase / PPIase / Rapamycin-binding protein Mass: 13022.733 Da / Num. of mol.: 8 / Mutation: P104G Source method: isolated from a genetically manipulated source Source: (gene. exp.) Candida albicans (strain SC5314 / ATCC MYA-2876) (yeast) Strain: SC5314 / ATCC MYA-2876 Gene: RBP1, RBP11, CaO19.11186, CaO19.3702, RBP2, RBP12, CaJ7.0299, CaO19.13810, CaO19.6452 Production host: Escherichia coli (E. coli) / References: UniProt: P28870, peptidylprolyl isomerase
#2: Chemical	ChemComp-FK5 / 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN / K506 / Tacrolimus Mass: 804.018 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C₄₄H₆₉NO₁₂ / Comment: medication*YM
#3: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 64 / 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: 2.56 Å³/Da / Density % sol: 51.96 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, hanging drop / Details: 1M Na Citrate, 0.2M NaCl and 0.1M Tris-HCl pH 7.0

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 22-BM / Wavelength: 1 Å

Detector

Type: MAR CCD 130 mm / Detector: CCD / Date: Jun 10, 2012

Radiation

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

Radiation wavelength

Wavelength: 1 Å / Relative weight: 1

Reflection

Resolution: 2.6→50 Å / Num. obs: 27492 / % possible obs: 84.3 % / Redundancy: 2.8 % / R_merge(I) obs: 0.124 / Net I/av σ(I): 10.657 / Net I/σ(I): 12.6

Reflection shell

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Diffraction-ID	% possible all
2.6-2.64	1.4	0.387	1	37.6
2.64-2.69	1.6	0.41	1	47.6
2.69-2.74	1.8	0.415	1	56.3
2.74-2.8	2.1	0.375	1	62.6
2.8-2.86	2.2	0.328	1	65.5
2.86-2.93	2.4	0.295	1	71.8
2.93-3	2.5	0.28	1	77.8
3-3.08	2.6	0.261	1	87.6
3.08-3.17	2.7	0.245	1	93.4
3.17-3.28	2.8	0.211	1	98.2
3.28-3.39	3	0.199	1	99.2
3.39-3.53	3.1	0.177	1	99.4
3.53-3.69	3.1	0.155	1	99.4
3.69-3.88	3.1	0.137	1	99.2
3.88-4.13	3.1	0.119	1	99
4.13-4.45	3.1	0.101	1	98.9
4.45-4.89	3.2	0.095	1	98.3
4.89-5.6	3.2	0.102	1	98.5
5.6-7.05	3.1	0.098	1	98.2
7.05-50	3.1	0.094	1	95.6

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Processing

Software

Name	Version	Classification
HKL-2000		data scaling
PHENIX	1.8.4_1496	refinement
PDB_EXTRACT	3.2	data extraction
HKL-2000		data reduction
PHENIX		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.86→26.148 Å / SU ML: 0.45 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 30.33

	R_factor	Num. reflection	% reflection
R_free	0.2853	1682	7.28 %
R_work	0.2444	-	-
obs	0.2473	23095	94.46 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å

Displacement parameters

B_iso max: 118.68 Å² / B_iso mean: 53.47 Å² / B_iso min: 16 Å²

Refinement step

Cycle: final / Resolution: 2.86→26.148 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	6769	0	456	64	7289
B_iso mean	-	-	49.51	38.82	-
Num. residues	-	-	-	-	932

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.008	7381
X-RAY DIFFRACTION	f_angle_d	1.586	10077
X-RAY DIFFRACTION	f_chiral_restr	0.064	1199
X-RAY DIFFRACTION	f_plane_restr	0.014	1279
X-RAY DIFFRACTION	f_dihedral_angle_d	19.821	2837

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 12

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
2.86-2.9441	0.4222	106	0.339	1350	1456	73
2.9441-3.039	0.341	120	0.3011	1524	1644	81
3.039-3.1474	0.3341	135	0.2825	1723	1858	92
3.1474-3.2732	0.3236	145	0.2811	1840	1985	98
3.2732-3.4218	0.3101	147	0.2669	1881	2028	99
3.4218-3.6018	0.3323	145	0.2626	1848	1993	99
3.6018-3.8268	0.2673	148	0.2425	1885	2033	99
3.8268-4.1213	0.2535	147	0.2308	1868	2015	99
4.1213-4.5341	0.2692	146	0.2052	1862	2008	99
4.5341-5.1857	0.2296	146	0.1984	1866	2012	99
5.1857-6.5167	0.2955	148	0.2501	1884	2032	98
6.5167-26.1487	0.2659	149	0.2474	1882	2031	97

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	4.4667	-0.9458	-0.4829	1.3941	0.2594	1.5699	0.169	-0.2735	0.3507	-0.0928	0.1048	-0.4877	0.4594	0.4047	-0.3585	0.5267	0.031	-0.0323	0.1684	-0.0544	0.6067	-14.6897	13.9537	0.713
2	1.1843	-0.256	0.533	2.2854	-0.5137	3.8896	-0.4103	0.0105	-0.2185	-0.2186	-0.0479	-0.7417	-0.1135	0.5502	0.4848	0.395	-0.0145	0.0461	0.3927	-0.0788	0.3758	-9.7627	29.3943	0.68
3	2.648	0.0395	-0.5305	1.7874	-1.3498	1.8517	-0.0078	0.2842	0.0214	-0.1988	0.0606	0.0056	0.2136	0.0692	-0.0091	0.3956	-0.0911	-0.0435	0.2734	-0.0492	0.311	-18.6469	20.6918	-5.0721
4	1.989	-0.674	0.7017	3.3413	-1.6616	6.306	-0.2328	0.2683	0.4008	0.5986	0.2291	0.1052	-0.7551	0.1614	0.0005	0.3737	-0.1108	-0.013	0.3561	-0.0524	0.5996	-13.1393	27.426	-3.2329
5	6.8614	1.1556	0.7703	5.4825	2.1521	4.68	-0.0319	-0.5193	-0.7842	0.7794	-0.0418	-0.4689	-0.4109	0.7343	-0.2198	0.5134	0.0329	-0.2084	0.5176	0.073	0.3151	-4.1021	24.1222	32.9927
6	2.5453	0.2287	-0.5469	3.9299	0.7455	2.6759	0.3514	0.0543	-0.168	0.3739	-0.0221	0.1186	-0.0594	-0.1907	-0.1987	0.4941	-0.0186	-0.0342	0.4313	0.0066	0.1939	-11.8487	27.4188	22.3566
7	2.5366	1.2702	-0.7502	4.1971	2.9816	3.5665	0.3039	-0.0041	-0.0647	0.4805	-0.2528	-0.437	0.3634	-0.0183	-0.0626	0.3996	0.0278	0.076	0.4179	0.0872	0.3303	-1.4923	29.452	27.5475
8	2.584	-2.6366	-0.5544	2.8213	1.7305	3.0053	0.0487	0.1677	-0.1619	0.1417	-0.1548	0.3695	-0.079	-0.3895	0.3481	0.4439	-0.0777	0.0259	0.3619	0.0048	0.4415	-16.8094	32.4366	34.3955
9	3.6016	2.9229	-4.5112	6.2295	-2.8709	6.9507	-0.7147	0.3099	-0.8105	-0.6284	-0.0189	-0.9848	2.1868	-0.2679	0.5112	0.3956	-0.1774	-0.0779	0.5119	0.0323	0.4909	-8.7689	24.8856	20.9024
10	3.0507	0.4962	1.3276	5.6495	-0.4891	2.4533	-0.2315	-0.3041	0.7993	0.6486	-0.3934	0.8468	-0.3364	-0.4941	0.3636	0.2313	0.065	0.028	0.3475	0.0208	0.4003	0.4578	54.5528	25.4762
11	2.0863	-0.1539	1.3105	3.9901	0.0576	5.2016	0.6175	-0.5362	1.4209	0.1728	-0.9737	0.2868	0.0337	0.4108	0.7279	0.249	-0.1019	-0.0485	0.4767	-0.0875	0.3546	12.5007	52.4348	23.0062
12	3.2834	-1.5905	0.3789	1.1817	1.4355	6.027	0.2706	-0.6777	-0.4575	1.5687	-0.7247	-1.043	0.2005	0.3473	0.5343	0.6965	-0.2701	-0.233	0.5553	0.0994	0.6063	20.5212	56.0401	28.0123
13	2.1612	0.7688	0.8787	3.6004	-0.7146	2.26	0.1808	-0.0552	0.2498	0.4152	-0.3084	0.2306	-0.219	0.3669	0.1634	0.3021	-0.052	-0.0033	0.3925	-0.0579	0.3421	4.9968	49.1012	25.8855
14	2.0634	2.0981	-0.4598	4.2005	0.4775	1.4189	-0.2339	-0.3905	0.3371	0.7554	-0.427	-1.4601	-0.3865	0.1942	-0.1439	0.4902	-0.1491	-0.1303	0.6689	0.1734	0.644	16.7848	43.346	36.3048
15	1.2495	-0.0698	1.5199	2.3729	-0.5339	3.1231	-0.3421	0.1404	0.5069	0.4339	-0.4062	-0.662	-0.6377	0.8916	0.3669	0.5191	-0.1971	-0.0882	0.6186	-0.0235	0.6596	11.6312	51.8824	27.1007
16	0.6698	0.015	0.2262	2.0014	0.1896	0.5397	-0.4031	-0.4117	-0.1414	0.0436	-0.2085	0.2378	-0.1736	-0.1375	-0.3995	0.971	-0.0259	0.0117	-0.0471	-0.2092	0.4947	-9.8704	62.1653	7.1019
17	2.0669	-0.1347	0.7652	1.4327	-0.2729	2.878	0.0035	0.2589	0.0836	-0.0804	-0.2006	-0.1929	-0.3588	0.1737	0.1276	0.2575	0.0076	-0.0495	0.2741	-0.0429	0.3449	-13.0326	53.6811	-1.9165
18	8.2498	-3.3896	-3.3838	5.7018	1.3266	1.7561	-0.5055	0.2202	0.6019	-0.0185	1.0299	-0.0299	-1.0393	0.3011	-0.4279	0.4713	0.0363	0.0033	0.3569	0.0388	0.4364	-20.3521	62.3869	5.1669
19	1.5842	0.2753	-0.8084	3.592	-3.0994	4.1293	-0.2969	-0.2416	-0.1213	-0.3606	-0.0846	-0.2339	0.5372	-0.1226	0.2429	0.3891	-0.0057	0.0146	0.331	-0.0649	0.402	-13.7377	53.2635	5.1968
20	6.3839	6.5438	-6.3616	2.0024	-7.6608	2.0082	-0.8565	0.6367	-0.9652	-0.6943	0.2268	-0.001	0.739	0.1501	0.35	0.4942	-0.0757	-0.1799	0.5575	0.1642	0.9834	-46.4837	38.535	11.9853
21	0.6963	-1.2387	0.1766	4.2312	0.6381	1.0053	-0.3615	-1.0124	-0.6723	-0.4426	0.2543	0.7823	-0.3905	-0.0413	-0.0987	0.5144	0.073	0.1335	0.6807	0.0494	0.7141	-44.6631	39.1936	25.0714
22	1.7016	-0.4578	-1.4254	4.0879	2.0095	1.766	-0.7427	-0.6008	-1.3603	-0.0729	-0.2696	0.3825	0.3455	1.3562	0.6997	0.3843	-0.0529	0.0384	0.6783	0.0652	0.5105	-34.3405	28.2798	22.8549
23	1.5777	-0.0139	-0.5594	3.2558	-1.3724	1.7122	0.5476	-0.291	0.243	0.1674	-0.3187	0.35	-0.3829	-0.2878	-0.3037	0.4415	-0.0125	0.101	0.4447	-0.0095	0.4686	-40.8454	42.6629	17.8102
24	1.8628	-1.1065	-1.0673	4.8334	-1.9241	3.798	-0.048	-0.1142	0.4852	-1.5812	-0.2069	0.536	1.9077	-0.7129	0.2923	0.1988	0.013	0.1281	0.4089	-0.1969	0.4064	-35.6723	35.1043	18.2145
25	2.5572	1.5173	0.8755	1.5689	-0.391	2.1916	1.1208	0.5773	0.8727	0.6405	0.1917	0.5961	-0.9853	0.0726	2.5274	1.0912	0.0168	0.6209	0.6432	0.3314	1.113	-18.3308	63.0043	39.4449
26	3.1791	0.8929	-0.3208	2.5771	-0.014	0.0546	0.4842	0.2469	-0.2091	1.076	0.164	0.9116	-0.5164	0.1121	-0.6569	0.7463	0.2093	0.1923	0.816	0.0915	0.8568	-30.1645	57.2112	43.3975
27	3.8613	-1.8961	0.6793	2.5145	0.8104	3.5421	0.4382	-0.0335	0.8024	-0.3286	0.3219	-0.4135	0.2104	0.3197	-0.6478	0.8455	0.141	0.1273	0.3449	0.0695	0.6086	-13.7043	56.2051	41.7074
28	5.524	-2.7291	2.5958	3.3593	0.5935	2.9776	-0.2716	0.927	1.644	-0.8671	-0.4422	-0.8979	-0.1051	0.7916	-0.499	0.8607	0.1775	0.4729	0.6672	0.1883	1.3507	-7.0471	64.3554	34.0637
29	2.9674	0.9685	-0.045	3.0153	0.2468	1.5018	0.3601	0.4432	0.8978	0.0512	0.3197	-0.2178	-0.631	-0.1079	-0.6363	0.8877	0.0967	0.1829	0.5594	0.199	0.7317	-20.8156	58.321	37.648
30	1.1547	0.6139	-1.9086	5.4373	0.9724	5.0719	0.0899	-1.7059	-0.0902	0.8723	-0.6051	0.0601	0.2027	-0.3728	0.3855	0.6681	-0.369	-0.0112	0.9587	0.0594	0.6603	-41.078	32.5528	57.8397
31	1.2946	0.3847	0.6788	0.6652	-0.7782	2.8222	0.5226	-0.1329	-0.0276	0.1391	-0.322	-0.0044	0.2599	-1.1098	-0.2063	0.6465	-0.0317	0.0154	0.8916	-0.0822	0.4467	-40.7273	32.6831	44.5524
32	2.2435	0.5677	0.5298	0.7599	0.172	5.0209	-0.9384	0.0032	-1.1627	0.8551	0.4531	0.4272	0.4651	-0.2986	-0.0425	1.2613	0.3381	0.396	0.7412	0.1087	0.8997	-37.0814	47.7921	47.0849
33	1.1336	0.7188	-2.1726	1.3749	-2.3146	5.1588	0.4651	0.0059	-0.2148	-1.1202	0.0193	-0.1244	0.2675	0.0092	-0.281	0.7385	-0.1544	0.0189	0.6455	-0.0478	0.4568	-31.7069	32.3361	47.2131
34	7.1634	1.3528	-5.5668	1.4319	-1.4489	4.492	-0.1875	1.0937	0.5338	-0.5369	0.2527	0.2495	-0.2541	-0.7312	-0.3395	1.4429	-0.2042	-0.1365	0.6626	0.1215	0.6452	-37.1234	23.5308	54.7183
35	0.9638	0.3422	0.0827	2.2693	-2.0672	5.1169	-0.1579	-0.1732	-0.211	-0.6119	-0.0041	-0.3536	-0.1442	-1.4635	-0.0427	0.4474	-0.0978	-0.0483	0.7526	-0.006	0.4516	-36.8308	35.1632	53.572
36	5.92	1.858	2.2289	2.8149	2.0551	8.2073	-0.7113	-0.0085	-0.1165	-0.1699	0.4475	0.0936	-0.6542	-0.3663	0.126	0.5457	0.0943	0.0627	0.5145	0.1069	0.4554	-34.2541	40.8321	50.5222
37	3.4948	0.4806	-0.1887	0.6472	-0.7786	2.31	-0.5784	-0.4566	-0.3366	-0.5479	-0.2626	-1.2881	0.5847	-0.1182	0.6538	0.7624	-0.1349	-0.0938	0.6128	0.1869	1.0349	42.2092	44.8599	26.4649
38	0.7773	0.4258	-0.263	0.6411	-1.2233	2.4125	-0.1271	-0.2407	-0.0669	-0.0064	0.1203	0.2321	-0.7094	-0.4001	0.1408	1.0977	-0.1117	0.1799	0.6937	0.1639	1.0367	33.4175	46.4401	25.3624
39	0.9349	0.318	0.5301	1.3974	1.4976	1.6387	-0.3941	0.2437	-1.053	0.6423	-0.3145	-0.0579	0.9338	0.0135	0.6738	1.2537	-0.4994	0.4076	0.6257	-0.072	0.7941	40.8902	36.9646	22.7552
40	6.1939	1.6363	5.2975	1.6702	-0.7756	8.2909	0.055	1.2465	0.7484	0.6336	0.1024	0.1917	0.2642	0.2203	-0.4426	0.783	0.1181	0.1611	0.6046	-0.2191	1.0902	48.625	40.0483	27.6315
41	3.6634	0.5702	-2.204	5.6202	-1.1173	3.5974	-0.9429	0.3521	-0.6685	0.2648	-0.3747	-0.2578	-0.1162	-0.2148	-0.1179	0.1773	-0.5416	-0.2275	-0.0789	-0.0059	1.0796	43.1856	47.2123	20.5747
42	4.1283	-0.5758	-4.3989	2.5817	-0.132	4.9417	0.5671	1.1124	0.1512	-0.3045	0.2298	-0.662	0.1673	-0.7128	0.4573	1.342	-0.3352	0.3873	0.6738	-0.2056	0.7985	30.2706	40.3722	12.4305
43	1.7676	0.5449	0.3029	0.4938	-0.0292	1.9819	0.4857	-0.4601	0.3461	0.7191	-0.8992	-1.1421	-0.299	0.194	0.0065	1.3314	-0.2892	0.2218	1.4864	-0.3838	1.0222	28.5445	45.9298	11.1663
44	5.9907	-2.424	0.4407	4.258	-3.1742	3.8215	-0.9089	-1.7441	-0.7161	1.2985	0.1982	-1.351	-1.2124	0.0225	0.4259	0.6079	-0.4747	-0.4287	0.4803	0.2193	1.4314	40.5925	46.942	26.702

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 5 through 24 )	A	5 - 24
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 25 through 53 )	A	25 - 53
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 54 through 101 )	A	54 - 101
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 102 through 124 )	A	102 - 124
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 3 through 12 )	B	3 - 12
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 13 through 60 )	B	13 - 60
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 61 through 85 )	B	61 - 85
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 86 through 111 )	B	86 - 111
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 112 through 124 )	B	112 - 124
10	X-RAY DIFFRACTION	10	chain 'C' and (resid 4 through 23 )	C	4 - 23
11	X-RAY DIFFRACTION	11	chain 'C' and (resid 24 through 34 )	C	24 - 34
12	X-RAY DIFFRACTION	12	chain 'C' and (resid 35 through 46 )	C	35 - 46
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 47 through 91 )	C	47 - 91
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 92 through 105 )	C	92 - 105
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 106 through 124 )	C	106 - 124
16	X-RAY DIFFRACTION	16	chain 'D' and (resid 4 through 12 )	D	4 - 12
17	X-RAY DIFFRACTION	17	chain 'D' and (resid 13 through 60 )	D	13 - 60
18	X-RAY DIFFRACTION	18	chain 'D' and (resid 61 through 77 )	D	61 - 77
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 78 through 123 )	D	78 - 123
20	X-RAY DIFFRACTION	20	chain 'E' and (resid 4 through 9 )	E	4 - 9
21	X-RAY DIFFRACTION	21	chain 'E' and (resid 10 through 34 )	E	10 - 34
22	X-RAY DIFFRACTION	22	chain 'E' and (resid 35 through 49 )	E	35 - 49
23	X-RAY DIFFRACTION	23	chain 'E' and (resid 50 through 100 )	E	50 - 100
24	X-RAY DIFFRACTION	24	chain 'E' and (resid 101 through 122 )	E	101 - 122
25	X-RAY DIFFRACTION	25	chain 'F' and (resid 3 through 33 )	F	3 - 33
26	X-RAY DIFFRACTION	26	chain 'F' and (resid 34 through 49 )	F	34 - 49
27	X-RAY DIFFRACTION	27	chain 'F' and (resid 50 through 68 )	F	50 - 68
28	X-RAY DIFFRACTION	28	chain 'F' and (resid 69 through 78 )	F	69 - 78
29	X-RAY DIFFRACTION	29	chain 'F' and (resid 79 through 123 )	F	79 - 123
30	X-RAY DIFFRACTION	30	chain 'G' and (resid 3 through 12 )	G	3 - 12
31	X-RAY DIFFRACTION	31	chain 'G' and (resid 13 through 34 )	G	13 - 34
32	X-RAY DIFFRACTION	32	chain 'G' and (resid 35 through 49 )	G	35 - 49
33	X-RAY DIFFRACTION	33	chain 'G' and (resid 50 through 67 )	G	50 - 67
34	X-RAY DIFFRACTION	34	chain 'G' and (resid 68 through 77 )	G	68 - 77
35	X-RAY DIFFRACTION	35	chain 'G' and (resid 78 through 100 )	G	78 - 100
36	X-RAY DIFFRACTION	36	chain 'G' and (resid 101 through 123 )	G	101 - 123
37	X-RAY DIFFRACTION	37	chain 'H' and (resid 7 through 34 )	H	7 - 34
38	X-RAY DIFFRACTION	38	chain 'H' and (resid 35 through 60 )	H	35 - 60
39	X-RAY DIFFRACTION	39	chain 'H' and (resid 61 through 68 )	H	61 - 68
40	X-RAY DIFFRACTION	40	chain 'H' and (resid 69 through 85 )	H	69 - 85
41	X-RAY DIFFRACTION	41	chain 'H' and (resid 86 through 91 )	H	86 - 91
42	X-RAY DIFFRACTION	42	chain 'H' and (resid 92 through 103 )	H	92 - 103
43	X-RAY DIFFRACTION	43	chain 'H' and (resid 104 through 111 )	H	104 - 111
44	X-RAY DIFFRACTION	44	chain 'H' and (resid 112 through 121 )	H	112 - 121

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