PDB-3ibg: Crystal structure of Aspergillus fumigatus Get3 with bound ADP

ID or keywords:

Entry

Database: PDB / ID: 3ibg

Title

Crystal structure of Aspergillus fumigatus Get3 with bound ADP

Components

ATPase, subunit of the Get complex

Keywords

HYDROLASE / nucleotide binding / deviant Walker A motif

Function / homology

Function and homology information

GET complex / pheromone-dependent signal transduction involved in conjugation with cellular fusion / tail-anchored membrane protein insertion into ER membrane / Hydrolases; Acting on acid anhydrides / post-translational protein targeting to endoplasmic reticulum membrane / retrograde vesicle-mediated transport, Golgi to endoplasmic reticulum / response to metal ion / protein folding chaperone / guanyl-nucleotide exchange factor activity / unfolded protein binding ...
Similarity search - Function

Biological species

Aspergillus fumigatus (mold)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MAD / Resolution: 3.2 Å

Authors

Suloway, C.J.M. / Chartron, J.W. / Zaslaver, M. / Clemons Jr., W.M.

Citation

Journal: Proc.Natl.Acad.Sci.USA / Year: 2009
Title: Model for eukaryotic tail-anchored protein binding based on the structure of Get3
Authors: Suloway, C.J. / Chartron, J.W. / Zaslaver, M. / Clemons, W.M.

History

Deposition	Jul 15, 2009	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Aug 25, 2009	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Version format compliance
Revision 1.2	Nov 20, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Structure summary Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature / 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	3ibg.cif.gz	721.9 KB	Display	PDBx/mmCIF format
PDB format	pdb3ibg.ent.gz	608.8 KB	Display	PDB format
PDBx/mmJSON format	3ibg.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	3ibg_validation.pdf.gz	2.1 MB	Display	wwPDB validaton report
Full document	3ibg_full_validation.pdf.gz	2.1 MB	Display
Data in XML	3ibg_validation.xml.gz	73 KB	Display
Data in CIF	3ibg_validation.cif.gz	89.1 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ib/3ibg ftp://data.pdbj.org/pub/pdb/validation_reports/ib/3ibg	HTTPS FTP

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Related structure data

Related structure data	3idqC C: citing same article (ref.)
Similar structure data	2qmu-d 5ogc-d 3zur-2 4x29-d 5bqn-d 2hxf-d 6cqi-d 3zus-3 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

3idqC

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: ATPase, subunit of the Get complex

B: ATPase, subunit of the Get complex

C: ATPase, subunit of the Get complex

D: ATPase, subunit of the Get complex

E: ATPase, subunit of the Get complex

F: ATPase, subunit of the Get complex

hetero molecules

234 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: ATPase, subunit of the Get complex

B: ATPase, subunit of the Get complex

hetero molecules

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

2

C: ATPase, subunit of the Get complex

D: ATPase, subunit of the Get complex

hetero molecules

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

3

E: ATPase, subunit of the Get complex

F: ATPase, subunit of the Get complex

hetero molecules

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

Unit cell

Length a, b, c (Å)	67.760, 154.780, 242.880
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	19
Space group name H-M	P2₁2₁2₁

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID
1	1
2	1
3	1
4	1
5	1
6	1

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Selection details
1	1	1	chain 'A' and (resseq 13:106 or resseq 126:184 or resseq...
2	1	1	chain 'B' and (resseq 13:106 or resseq 126:184 or resseq...
3	1	1	chain 'C' and (resseq 13:106 or resseq 126:184 or resseq...
4	1	1	chain 'D' and (resseq 13:106 or resseq 126:184 or resseq...
5	1	1	chain 'E' and (resseq 13:106 or resseq 126:184 or resseq...
6	1	1	chain 'F' and (resseq 13:106 or resseq 126:184 or resseq...

NCS ensembles :

ID
1
and
or
(not
'
element
)

Details

The biological unit is a dimer. There are three biological units in the asymmetric unit (chains A & B and chains C & D and chains D & F)

#1: Protein	ATPase, subunit of the Get complex Mass: 38517.016 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Aspergillus fumigatus (mold) / Gene: AFUA_3G11350 / Plasmid: pET33b / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q4WY07, EC: 3.6.3.16
#2: Chemical	ChemComp-ADP / ADENOSINE-5'-DIPHOSPHATE Mass: 427.201 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₁₀H₁₅N₅O₁₀P₂ / Comment: ADP, energy-carrying molecule*YM
Has protein modification	Y

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 2

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Sample preparation

Crystal	Density Matthews: 2.76 Å³/Da / Density % sol: 55.36 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 8 Details: 0.2 M potassium citrate, 16% PEG 3350, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K

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Data collection

Diffraction

ID	Mean temperature (K)	Crystal-ID
1	100	1
2	100	1

Diffraction source

Source	Site	Beamline	ID	Wavelength (Å)
SYNCHROTRON	SSRL	BL12-2	1	1
SYNCHROTRON	SSRL	BL12-2	2	0.97941, 0.97954, 0.91837

Detector

Type	ID	Detector	Date
MARMOSAIC 325 mm CCD	1	CCD	Dec 14, 2008
MARMOSAIC 325 mm CCD	2	CCD	Jan 12, 2009

Radiation

ID	Monochromator	Protocol	Monochromatic (M) / Laue (L)	Scattering type	Wavelength-ID
1	LIQUID N2 COOLED DOUBLE CRYSTAL	SINGLE WAVELENGTH	M	x-ray	1
2	LIQUID N2 COOLED DOUBLE CRYSTAL	MAD	M	x-ray	1

Radiation wavelength

ID	Wavelength (Å)	Relative weight
1	1	1
2	0.97941	1
3	0.97954	1
4	0.91837	1

Reflection

Redundancy: 7.3 % / Av σ(I) over netI: 7.2 / Number: 118718 / R_merge(I) obs: 0.077 / R_sym value: 0.077 / D res high: 4.499 Å / D res low: 80.927 Å / Num. obs: 16179 / % possible obs: 100

Diffraction reflection shell

Highest resolution (Å)	Lowest resolution (Å)	% possible obs (%)	ID	R_merge(I) obs	R_sym value	Redundancy
14.23	80.93	99.6	1	0.041	0.041	6
10.06	14.23	100	1	0.045	0.045	6.9
8.22	10.06	100	1	0.052	0.052	7.1
7.12	8.22	100	1	0.067	0.067	7.3
6.36	7.12	100	1	0.106	0.106	7.4
5.81	6.36	100	1	0.111	0.111	7.4
5.38	5.81	100	1	0.107	0.107	7.4
5.03	5.38	100	1	0.101	0.101	7.5
4.74	5.03	100	1	0.104	0.104	7.5
4.5	4.74	100	1	0.12	0.12	7.5

Reflection

Resolution: 3.2→65.268 Å / Num. obs: 43190 / % possible obs: 100 % / Redundancy: 4.9 % / R_sym value: 0.124 / Net I/σ(I): 10.4

Reflection shell

Resolution: 3.2→3.37 Å / Redundancy: 5 % / Mean I/σ(I) obs: 2.5 / R_sym value: 0.667 / % possible all: 100

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Phasing

Phasing

Method:

MAD

Phasing set

ID
1
2
3

Phasing MAD set

Clust-ID	Expt-ID	Set-ID	Wavelength (Å)	F double prime refined	F prime refined
3 wavelength	1	1	0.979	3.7	-10.7
3 wavelength	1	2	0.918	3.4	-1.8
3 wavelength	1	3	0.979	5.7	-8.8

Phasing MAD set site

ID	Atom type symbol	B iso	Fract x	Fract y	Fract z	Occupancy
1	Se	60	0.964	0.317	0.788	1.667
2	Se	60	0.199	0.171	0.958	1.858
3	Se	60	0.435	0.145	0.931	1.252
4	Se	60	0.21	0.311	0.764	2.484
5	Se	60	0.063	0.579	0.9	1.569
6	Se	60	0.865	0.5	0.732	2.104
7	Se	60	0.087	0.506	0.695	1.859
8	Se	60	0.199	0.341	0.935	0.937
9	Se	60	0.307	0.422	0.781	1.074
10	Se	60	0.355	0.728	0.837	1.504
11	Se	39.762	0.996	0.845	0.933	0.891
12	Se	60	0.277	0.454	0.991	1.436
13	Se	60	0.377	0.972	0.914	1.463
14	Se	60	0.469	0.863	0.969	1.172
15	Se	60	0.233	0.432	0.979	1.653
16	Se	60	0.728	0.954	0.885	1.415
17	Se	60	0.01	0.451	0.026	1.375
18	Se	60	1	0.293	0.992	1.319
19	Se	60	0.618	0.285	0.767	0.983
20	Se	60	0.951	0.476	0.804	1.349
21	Se	60	0.551	0.361	0.778	1.191
22	Se	60	0.771	0.233	0.995	1.503
23	Se	60	0.713	0.527	0.822	1.253
24	Se	57.171	0.198	0.84	0.914	0.738
25	Se	60	0.503	0.47	0.867	1.605
26	Se	60	0.333	0.475	0.897	1.266
27	Se	60	0.372	0.736	0.859	1.003
28	Se	60	0.202	0.706	0.784	1.286
29	Se	60	0.659	0.024	0.908	1.263
30	Se	60	0.01	0.588	0.884	1.665
31	Se	60	0.105	0.394	0.665	1.217
32	Se	60	0.012	0.812	0.936	1.08
33	Se	60	0.815	0.339	0.727	1.558
34	Se	60	0.847	0.921	0.964	0.979
35	Se	60	0.58	0.897	0.89	1.641
36	Se	60	0.505	0.503	0.873	1.436
37	Se	60	0.999	0.412	0.964	1.314
38	Se	60	0.038	0.947	0.902	1.066
39	Se	42.086	0.465	0.885	0.951	1.021
40	Se	60	0.786	0.623	0.874	1.427
41	Se	60	0.472	0.687	0.786	0.928
42	Se	60	0.265	0.889	0.969	1.123
43	Se	60	0.419	0.433	0.949	0.92
44	Se	60	0.678	0.391	0.856	1.133
45	Se	60	0.162	0.707	0.868	1.867
46	Se	60	0.958	0.613	0.813	1.429
47	Se	60	0.206	0.61	0.858	0.955
48	Se	1	0.038	0.511	0.712	0.112
49	Se	1	0.662	0.538	0.74	0.012

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Processing

Software

Name	Version	Classification
SCALA	3.3.9	data processing
SOLVE	2.13	phasing
PHENIX	1.4_62	refinement
PDB_EXTRACT	3.005	data extraction
Blu-Ice		data collection
MOSFLM		data reduction
SCALA		data scaling

Refinement

Method to determine structure:

MAD / Resolution: 3.2→65.264 Å / Occupancy max: 1 / Occupancy min: 1 / SU ML: 0.33 / σ(F): 1.35 / Phase error: 24.1 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2513	2197	5.1 %
R_work	0.2119	-	-
obs	0.2139	43100	99.92 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 54.369 Å² / k_sol: 0.332 e/Å³

Displacement parameters

B_iso mean: 86.205 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	10.197 Å²	-0 Å²	0 Å²
2-	-	-12.357 Å²	-0 Å²
3-	-	-	2.16 Å²

Refinement step

Cycle: LAST / Resolution: 3.2→65.264 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	14076	0	162	0	14238

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.006	14472
X-RAY DIFFRACTION	f_angle_d	1.038	19536
X-RAY DIFFRACTION	f_dihedral_angle_d	17.866	5412
X-RAY DIFFRACTION	f_chiral_restr	0.057	2268
X-RAY DIFFRACTION	f_plane_restr	0.003	2466

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Type	Rms dev position (Å)
1	1	A	2239	X-RAY DIFFRACTION	POSITIONAL
1	2	B	2239	X-RAY DIFFRACTION	POSITIONAL	0.157
1	3	C	2239	X-RAY DIFFRACTION	POSITIONAL	0.143
1	4	D	2239	X-RAY DIFFRACTION	POSITIONAL	0.141
1	5	E	2239	X-RAY DIFFRACTION	POSITIONAL	0.18
1	6	F	2239	X-RAY DIFFRACTION	POSITIONAL	0.16

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 (%)
3.2-3.3144	0.3556	225	0.3029	4007	X-RAY DIFFRACTION	100
3.3144-3.4471	0.3254	230	0.2864	4020	X-RAY DIFFRACTION	100
3.4471-3.604	0.3155	209	0.2596	4053	X-RAY DIFFRACTION	100
3.604-3.794	0.2744	208	0.2297	4041	X-RAY DIFFRACTION	100
3.794-4.0316	0.2537	219	0.2163	4045	X-RAY DIFFRACTION	100
4.0316-4.3429	0.2325	209	0.1952	4078	X-RAY DIFFRACTION	100
4.3429-4.7798	0.2214	199	0.1667	4095	X-RAY DIFFRACTION	100
4.7798-5.4711	0.2177	229	0.1673	4103	X-RAY DIFFRACTION	100
5.4711-6.8918	0.2265	216	0.1927	4162	X-RAY DIFFRACTION	100
6.8918-65.2777	0.2188	253	0.2013	4299	X-RAY DIFFRACTION	99

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	4.0683	-3.5911	1.0935	4.4913	1.8089	6.4202	0.0548	-0.6792	0.2676	-1.2457	-0.0626	-0.2995	0.0505	1.5727	-0.0908	0.6507	0.3639	0.1336	0.6203	-0.0152	0.6446	29.3829	-66.9689	116.103
2	1.4255	-0.5125	0.3685	6.8759	0.2646	0.7467	-0.2018	-0.1961	0.1588	0.3934	0.1134	0.1521	0.0774	0.2691	0.1179	0.5678	0.2047	0.0297	0.562	0.0931	0.4945	20.4409	-53.6455	119.5244
3	3.3744	-0.7223	0.7833	8.2316	7.1363	9.5653	0.0162	-0.7803	-0.6736	-0.7996	-1.2687	2.5411	-1.1883	-1.1581	1.0704	0.538	0.438	0.1452	0.7472	-0.0539	0.6582	7.3562	-47.4555	122.1489
4	0.0725	0.4279	-0.0354	1.0819	-0.5028	0.1049	-0.0766	-0.0392	0.4171	0.4067	0.0482	0.7805	-0.2563	0.1235	-0.0713	0.5904	0.1375	0.0887	0.6257	0.0319	0.8065	11.9614	-40.7615	115.6891
5	-0.7498	-0.3319	-0.1689	6.1337	0.0031	1.6459	-0.0108	0.0498	0.3583	0.1874	-0.2767	-0.5242	-0.0833	0.328	0.2703	0.3498	0.0056	-0.0726	0.3979	0.0651	0.7187	22.8469	-30.7508	111.4476
6	3.1008	-1.0042	0.4672	3.9635	0.7553	1.7487	0.1092	0.3787	0.0405	-0.2955	-0.1171	0.1834	0.1803	0.2027	-0.012	0.5715	0.0906	0.0732	0.4398	0.0456	0.5714	21.1787	-59.8193	105.6865
7	1.9258	-1.5054	1.2022	1.1775	-0.9732	1.3854	0.2436	-0.6177	1.9694	0.3972	-0.7758	0.0947	0.2969	-0.2586	0.7437	1.8698	-0.1668	-0.0201	0.6548	-0.1146	0.9589	9.3309	-78.2557	102.3956
8	2.8557	0.2847	1.5062	3.2775	1.1829	3.776	0.1406	-0.0624	-1.1006	-0.0855	-0.0433	0.3506	0.6867	0.0341	-0.0049	0.7092	0.1062	0.0998	0.4908	0.1024	0.7479	17.5264	-68.2953	112.6253
9	2.6365	1.8698	-2.2116	2.7433	-1.9111	1.7823	0.2855	0.4205	0.6073	-0.2075	0.1782	0.7167	0.0933	-0.7786	-0.2833	0.6116	-0.1166	-0.2003	0.8244	-0.0652	0.6744	0.9471	-66.8769	78.1054
10	8.4493	-4.5701	2.9488	2.8536	0.1508	8.4595	0.8603	0.2132	-2.1982	-0.4315	-0.3806	1.8026	1.0659	0.4399	0.0337	0.8599	0.1438	0.141	0.4962	-0.5085	0.9936	16.4474	-72.5533	76.0018
11	2.1281	0.0202	-1.9205	1.4601	-1.1731	2.2849	0.133	0.8693	-0.1926	-0.0524	-0.0271	-0.6984	1.1492	-0.1342	0.0342	0.9209	0.1402	0.0091	0.901	-0.0929	0.581	17.1809	-58.3355	71.8137
12	2.4375	1.3884	-1.9743	1.6346	-0.5744	2.6907	-0.1482	0.464	0.3142	-0.3546	0.3064	0.3756	-0.0131	-0.5711	-0.2081	0.5335	0.087	-0.0437	0.7814	0.0916	0.5578	12.0833	-49.7371	68.9393
13	3.2791	0.6356	-0.2521	1.0675	-0.0654	2.1496	0.3931	-0.1193	0.574	0.1419	-0.4196	-0.0128	-0.3776	0.1892	0.1243	0.6063	-0.0398	-0.0366	0.5681	0.0547	0.627	1.9879	-62.0524	93.222
14	0.8076	-0.3723	0.6499	0.2635	-0.1951	0.5604	0.3205	-0.5546	-0.0906	-0.8663	0.2899	-0.0187	0.7403	-0.3436	-0.3388	1.3841	-0.1818	0.3004	1.2888	0.2808	0.9623	-0.7944	-66.8024	104.7812
15	1.6018	0.4391	0.1208	1.3641	-1.9659	3.6176	-0.0926	-0.5864	-0.4251	-0.3924	0.5721	0.7083	0.9344	-0.7706	-0.3875	0.9075	-0.2557	0.0164	0.5959	0.0708	1.1554	0.4725	-71.3539	89.5998
16	3.6139	0.8452	-0.5193	0.8607	0.3822	3.1407	-2.2996	0.6444	0.0588	-0.8547	0.753	-0.5422	0.1823	-0.2905	1.0839	1.0403	-0.4161	-0.0796	0.8418	0.0452	1.3422	-5.5443	-76.7565	89.4093
17	1.1285	1.8334	1.5385	2.9222	2.4585	2.0658	-0.2533	0.3	-1.358	-0.0207	0.5111	-1.5589	0.1751	0.4774	-1.3444	0.7305	-0.5202	0.1888	1.1434	0.0698	1.293	66.6883	-32.6077	46.499
18	1.3516	2.1275	-0.9068	3.4275	-1.083	3.3111	-0.0735	-0.939	-0.2822	0.0906	0.2302	-0.4864	-0.1309	0.6967	-0.1458	0.4896	-0.0622	0.1664	0.8556	-0.0958	0.65	54.8454	-43.4697	49.4672
19	2.0779	-0.8823	1.6432	1.2034	0.2436	2.3225	-0.3249	0.7961	-1.8882	-0.3333	0.4383	1.444	1.6878	-0.1887	-0.1055	0.8804	-0.0575	0.2378	0.3692	-0.1127	1.1676	43.4169	-51.4234	44.6367
20	2.6474	-0.5301	-1.2135	0.7058	0.1522	2.8455	-0.6434	-0.215	0.0246	0.3082	0.4344	-0.2119	1.101	-0.1764	0.041	0.7134	0.0259	0.0085	0.6458	-0.0271	0.6811	40.1211	-47.8156	53.8041
21	1.1749	-0.0488	-2.0586	1.3997	-0.2258	2.1309	-0.1028	-0.4404	0.1031	-0.0205	0.0457	-0.2426	0.1088	0.5767	0.051	0.7268	-0.0303	-0.0581	0.8113	-0.0366	0.6029	41.7803	-45.7753	68.2252
22	3.6962	1.507	-0.5637	3.8198	-0.7402	1.6372	0.692	-0.2403	0.4419	0.6956	-0.1603	0.4748	-1.3075	0.3613	-0.269	1.0476	-0.3138	0.0786	0.6644	-0.1106	0.8083	51.3154	-26.7742	46.2121
23	0.1351	-0.6667	0.3208	6.7039	-2.2418	0.8604	0.4459	-0.1252	0.0392	-0.7487	0.9234	3.3358	-0.7601	-0.5055	-1.2582	2.3579	-0.1466	0.851	0.6591	0.2238	1.3273	53.0916	-20.3991	28.6935
24	1.5669	-0.6603	-0.4568	1.8344	-2.2822	3.0837	-0.1197	0.3736	0.3746	-0.7271	0.0892	-0.0942	-0.7327	0.6733	-0.0178	0.7879	-0.205	0.1962	0.7865	-0.0661	0.8237	57.4208	-31.6063	38.389
25	0.6599	-0.0011	-1.1162	0.0149	-0.0224	1.9145	-1.1177	0.8981	1.0433	0.2941	1.148	-0.0004	0.3098	-0.6704	0.5745	0.9284	-0.3897	-0.2507	1.236	-0.4038	0.6259	24.0178	-15.2831	26.0708
26	1.9805	0.854	-1.4272	1.6738	0.2555	1.4158	-0.1871	-0.0127	0.0612	0.2842	-0.0527	0.0601	0.37	-0.6436	0.132	0.8115	0.0686	-0.1874	0.6994	0.012	0.3697	30.6694	-4.4682	37.9852
27	1.0482	-0.612	0.426	0.8209	0.9977	1.2914	0.0331	0.0158	0.3645	-0.6554	-0.2402	0.0554	-0.6644	-0.1982	0.1556	0.9627	-0.0276	-0.0165	0.574	-0.0443	0.7485	33.6638	-0.97	52.5815
28	0.2502	-0.6299	-0.8019	2.6711	1.8888	5.1033	-0.0321	0.3546	-0.1665	-0.1857	-0.1628	0.2721	0.2749	-1.1762	0.2135	0.5204	-0.0303	-0.0441	0.8127	-0.1145	0.6495	23.2082	-4.8956	57.1621
29	1.6926	1.5994	0.8571	1.8981	1.4187	0.9162	-0.135	-0.1073	-0.1168	0.2255	-0.4606	0.4141	0.4796	-0.4096	0.2985	0.873	-0.1506	0.0572	1.0127	-0.2644	0.6844	29.9534	-19.372	38.6619
30	2.9996	-0.3032	-3.7674	4.5335	1.7202	5.2851	-0.3535	0.7689	0.1551	0.5605	-0.0371	-0.6748	-1.2568	-0.3166	0.0753	1.317	0.0353	0.3568	1.1563	-0.5075	0.9799	48.7141	-28.5757	24.4996
31	0.7775	-1.135	0.122	2.482	1.5103	1.9867	0.0074	0.6043	-0.1997	-0.5382	-0.1193	-0.2126	0.3396	-0.2234	0.129	0.9835	-0.1443	0.0212	0.6336	-0.1658	0.6887	35.7556	-20.708	30.2059
32	0.9761	-0.8204	-0.8004	1.1883	1.3073	1.5064	1.3073	0.6646	-0.8134	-1.0667	-0.6381	-0.3232	-1.0857	-1.6285	-0.3583	1.2472	0.1588	0.101	1.2318	0.1016	0.3552	36.9233	-8.1524	24.3623
33	1.0374	0.7	-1.8853	5.9808	0.9172	6.1521	0.0821	0.0129	0.0262	0.2091	-0.0024	-0.7511	0.0568	0.229	-0.143	0.3456	-0.0925	-0.0334	0.4236	0.0475	0.6917	40.0197	18.7783	95.5604
34	2.3596	-0.2028	-0.4141	1.1709	2.2452	3.8803	0.0596	0.1055	0.2832	-0.3873	0.0726	0.0605	-0.427	0.2114	-0.132	0.5522	0.0336	0.004	0.6492	0.0721	0.4955	37.2112	7.9693	82.2302
35	0.5434	-0.3209	0.8336	1.0804	-0.7733	2.2626	-0.801	-0.5432	0.5766	-1.8226	-1.1866	0.3683	-0.8068	0.2013	1.5167	1.7158	-0.0414	-0.7187	1.0501	0.1168	1.4463	45.4438	-17.3436	65.3847
36	-0.35	0.7718	0.0819	1.5094	1.4501	4.9787	0.2156	-0.0163	-0.146	0.0558	0.2167	-0.511	0.2291	0.358	-0.4538	0.2876	0.1014	-0.127	0.5875	-0.0116	0.4894	41.528	0.9137	82.7114
37	2.4353	-1.8508	2.2336	2.2703	-0.0233	4.1882	0.027	-0.2991	-0.4586	0.9528	0.1006	0.1424	0.5907	0.0163	-0.1701	0.3886	-0.0668	0.0441	0.5446	0.0315	0.6503	32.0484	10.5361	103.9794
38	8.5349	2.4065	1.6974	2.4913	-3.2125	7.8684	0.8811	1.2389	1.7331	-0.6252	0.0585	0.2492	1.2415	-0.0207	-0.5974	0.7407	-0.1438	0.2674	0.9784	-0.5102	0.8263	16.3299	26.3068	115.6862
39	5.7355	0.1728	-0.4177	0.1352	0.6151	2.8807	0.2056	-0.7032	0.424	0.4521	-0.0972	0.1909	-0.3433	0.0363	-0.109	0.8784	-0.0162	0.054	0.5478	0.0036	0.5346	29.3499	19.1127	109.3146
40	2.1223	-1.3506	2.1638	0.887	-1.8075	8.0156	-0.3921	-0.1822	0.434	0.661	0.4256	-1.2627	-1.6019	-0.1814	-0.0926	0.7586	-0.1522	-0.0413	0.2622	-0.2484	0.8011	36.475	29.77	103.9923
41	1.8795	1.1808	1.098	8.7741	-1.5422	2.9954	0.6347	0.5663	-0.0213	0.0242	-0.6256	0.0553	0.004	-0.4829	-0.0211	0.2626	0.0668	0.0459	0.539	0.0247	0.3789	-2.883	6.4912	108.8951
42	6.064	-1.5811	2.0928	6.9145	-2.6793	6.3554	-0.8175	-0.2168	0.5225	-0.2169	-0.0446	-1.919	0.0655	-0.2357	0.5162	0.3929	-0.195	0.0206	0.752	0.1733	0.4864	5.9363	0.0736	120.9263
43	1.5838	0.0173	-0.6323	4.4702	-0.0783	0.7024	0.2001	-0.8145	-0.2428	0.7481	0.1696	-0.2743	0.3439	-0.1607	-0.3587	0.4797	-0.1055	-0.1397	0.6249	0.0895	0.4596	5.9848	-10.3246	110.3497
44	1.4611	-0.2498	-0.5614	5.3183	-0.8643	0.7076	0.2099	0.0222	-0.2768	-0.4796	-0.3221	0.0901	0.1029	-0.1725	0.077	0.3579	0.0164	-0.1733	0.4867	-0.0016	0.4536	2.0959	-13.4635	101.2149
45	1.7779	-0.0484	1.5559	4.6598	-1.2371	2.3224	-0.0553	0.0783	0.1251	-1.1549	-0.0431	-0.1567	-0.0367	0.3651	0.0129	0.5119	-0.015	0.0923	0.5479	0.0477	0.5612	5.9681	10.5396	99.1891
46	1.1727	-2.147	0.2167	3.9407	-0.3693	0.0851	0.1573	-0.5452	0.3975	-0.7059	-0.3922	0.531	0.1386	0.3663	0.5923	0.6412	-0.0822	0.0351	0.4421	-0.0372	1.6274	18.0199	31.0776	107.5382
47	2.3402	2.2943	-0.7611	2.9513	-0.6196	1.8296	-0.0726	0.0522	0.5	-0.185	-0.2479	-0.0794	-1.0821	-0.1108	0.1508	0.6403	0.0428	-0.0414	0.5309	0.1187	0.6451	7.1393	19.7205	103.7867
48	8.5097	-1.9486	1.9985	6.5102	-2.6651	4.4073	-0.0727	1.4	1.4816	1.0224	-0.9597	0.4418	-1.3419	-0.332	0.6185	0.5576	-0.0694	0.0445	0.3678	-0.2396	0.5995	-0.907	19.3661	115.1006

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 12:18)	A	12 - 18
2	X-RAY DIFFRACTION	2	(chain A and resid 19:65)	A	19 - 65
3	X-RAY DIFFRACTION	3	(chain A and resid 66:81)	A	66 - 81
4	X-RAY DIFFRACTION	4	(chain A and resid 82:125)	A	82 - 125
5	X-RAY DIFFRACTION	5	(chain A and resid 126:233)	A	126 - 233
6	X-RAY DIFFRACTION	6	(chain A and resid 234:284)	A	234 - 284
7	X-RAY DIFFRACTION	7	(chain A and resid 285:290)	A	285 - 290
8	X-RAY DIFFRACTION	8	(chain A and resid 291:338)	A	291 - 338
9	X-RAY DIFFRACTION	9	(chain B and resid 12:65)	B	12 - 65
10	X-RAY DIFFRACTION	10	(chain B and resid 66:78)	B	66 - 78
11	X-RAY DIFFRACTION	11	(chain B and resid 79:147)	B	79 - 147
12	X-RAY DIFFRACTION	12	(chain B and resid 148:250)	B	148 - 250
13	X-RAY DIFFRACTION	13	(chain B and resid 251:288)	B	251 - 288
14	X-RAY DIFFRACTION	14	(chain B and resid 289:298)	B	289 - 298
15	X-RAY DIFFRACTION	15	(chain B and resid 299:330)	B	299 - 330
16	X-RAY DIFFRACTION	16	(chain B and resid 331:339)	B	331 - 339
17	X-RAY DIFFRACTION	17	(chain C and resid 12:18)	C	12 - 18
18	X-RAY DIFFRACTION	18	(chain C and resid 19:65)	C	19 - 65
19	X-RAY DIFFRACTION	19	(chain C and resid 66:81)	C	66 - 81
20	X-RAY DIFFRACTION	20	(chain C and resid 82:125)	C	82 - 125
21	X-RAY DIFFRACTION	21	(chain C and resid 126:240)	C	126 - 240
22	X-RAY DIFFRACTION	22	(chain C and resid 241:285)	C	241 - 285
23	X-RAY DIFFRACTION	23	(chain C and resid 286:290)	C	286 - 290
24	X-RAY DIFFRACTION	24	(chain C and resid 291:338)	C	291 - 338
25	X-RAY DIFFRACTION	25	(chain D and resid 12:18)	D	12 - 18
26	X-RAY DIFFRACTION	26	(chain D and resid 19:70)	D	19 - 70
27	X-RAY DIFFRACTION	27	(chain D and resid 71:147)	D	71 - 147
28	X-RAY DIFFRACTION	28	(chain D and resid 148:252)	D	148 - 252
29	X-RAY DIFFRACTION	29	(chain D and resid 253:282)	D	253 - 282
30	X-RAY DIFFRACTION	30	(chain D and resid 283:290)	D	283 - 290
31	X-RAY DIFFRACTION	31	(chain D and resid 291:322)	D	291 - 322
32	X-RAY DIFFRACTION	32	(chain D and resid 323:338)	D	323 - 338
33	X-RAY DIFFRACTION	33	(chain E and resid 13:71)	E	13 - 71
34	X-RAY DIFFRACTION	34	(chain E and resid 72:186)	E	72 - 186
35	X-RAY DIFFRACTION	35	(chain E and resid 187:194)	E	187 - 194
36	X-RAY DIFFRACTION	36	(chain E and resid 195:250)	E	195 - 250
37	X-RAY DIFFRACTION	37	(chain E and resid 251:282)	E	251 - 282
38	X-RAY DIFFRACTION	38	(chain E and resid 283:290)	E	283 - 290
39	X-RAY DIFFRACTION	39	(chain E and resid 291:322)	E	291 - 322
40	X-RAY DIFFRACTION	40	(chain E and resid 323:338)	E	323 - 338
41	X-RAY DIFFRACTION	41	(chain F and resid 13:65)	F	13 - 65
42	X-RAY DIFFRACTION	42	(chain F and resid 66:78)	F	66 - 78
43	X-RAY DIFFRACTION	43	(chain F and resid 79:147)	F	79 - 147
44	X-RAY DIFFRACTION	44	(chain F and resid 148:252)	F	148 - 252
45	X-RAY DIFFRACTION	45	(chain F and resid 253:282)	F	253 - 282
46	X-RAY DIFFRACTION	46	(chain F and resid 283:290)	F	283 - 290
47	X-RAY DIFFRACTION	47	(chain F and resid 291:322)	F	291 - 322
48	X-RAY DIFFRACTION	48	(chain F and resid 323:338)	F	323 - 338

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