PDB-4llo: Structure of the eag domain-CNBHD complex of the mouse EAG1 channel

Basic information

• Entry: Database: PDB / ID: 4llo
• Title: Structure of the eag domain-CNBHD complex of the mouse EAG1 channel
• Components: (Potassium voltage-gated channel subfamily H member 1) x 2
• Keywords: TRANSPORT PROTEIN / Voltage-gated potassium channel

Function / homology

Function:

Voltage gated Potassium channels / regulation of presynaptic cytosolic calcium ion concentration / voltage-gated monoatomic ion channel activity involved in regulation of presynaptic membrane potential / delayed rectifier potassium channel activity / nuclear inner membrane / phosphatidylinositol bisphosphate binding / parallel fiber to Purkinje cell synapse / regulation of synaptic vesicle exocytosis / voltage-gated potassium channel complex / potassium ion transmembrane transport / cellular response to calcium ion / postsynaptic density membrane / regulation of cell population proliferation / presynaptic membrane / early endosome membrane / perikaryon / calmodulin binding / axon / dendrite / plasma membrane

Domain/homology:

Potassium channel, voltage-dependent, EAG / : / Potassium channel, voltage-dependent, EAG/ELK/ERG / PAS domain / PAS-associated, C-terminal / PAC domain profile. / PAC motif / Motif C-terminal to PAS motifs (likely to contribute to PAS structural domain) / PAS domain / Cyclic nucleotide-monophosphate binding domain / Cyclic nucleotide-binding domain / cAMP/cGMP binding motif profile. / Cyclic nucleotide-binding domain / Cyclic nucleotide-binding domain superfamily / Jelly Rolls / Beta-Lactamase / PAS repeat profile. / PAS domain / RmlC-like jelly roll fold / PAS domain superfamily / Ion transport domain / Ion transport protein / Jelly Rolls / Sandwich / 2-Layer Sandwich / Mainly Beta / Alpha Beta

Component:

Voltage-gated delayed rectifier potassium channel KCNH1

• Biological species: Mus musculus (house mouse)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.995 Å
• Authors: Haitin, Y. / Carlson, A.E. / Zagotta, W.N.
• Citation: Journal: Nature / Year: 2013; Title: The structural mechanism of KCNH-channel regulation by the eag domain.; Authors: Haitin, Y. / Carlson, A.E. / Zagotta, W.N.

History

Deposition	Jul 9, 2013	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Aug 28, 2013	Provider: repository / Type: Initial release
Revision 1.1	Sep 25, 2013	Group: Database references
Revision 1.2	Sep 20, 2023	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ref_seq_dif Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details
Revision 1.3	Oct 9, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

Assembly

Deposited unit

A: Potassium voltage-gated channel subfamily H member 1

B: Potassium voltage-gated channel subfamily H member 1

C: Potassium voltage-gated channel subfamily H member 1

D: Potassium voltage-gated channel subfamily H member 1

E: Potassium voltage-gated channel subfamily H member 1

F: Potassium voltage-gated channel subfamily H member 1

G: Potassium voltage-gated channel subfamily H member 1

H: Potassium voltage-gated channel subfamily H member 1

Summary:

• 143 kDa, 8 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	142,592	8
Polymers	142,592	8
Non-polymers	0	0
Water	18,339	1018

1

A: Potassium voltage-gated channel subfamily H member 1

B: Potassium voltage-gated channel subfamily H member 1

Summary:

• defined by author&software
• 35.6 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	35,648	2
Polymers	35,648	2
Non-polymers	0	0
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	1420 Å2
ΔGint	-10 kcal/mol
Surface area	14610 Å2
Method	PISA

2

C: Potassium voltage-gated channel subfamily H member 1

D: Potassium voltage-gated channel subfamily H member 1

Summary:

• defined by author&software
• 35.6 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	35,648	2
Polymers	35,648	2
Non-polymers	0	0
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	1270 Å2
ΔGint	-9 kcal/mol
Surface area	13850 Å2
Method	PISA

3

E: Potassium voltage-gated channel subfamily H member 1

F: Potassium voltage-gated channel subfamily H member 1

Summary:

• defined by author&software
• 35.6 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	35,648	2
Polymers	35,648	2
Non-polymers	0	0
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	1580 Å2
ΔGint	-9 kcal/mol
Surface area	14570 Å2
Method	PISA

4

G: Potassium voltage-gated channel subfamily H member 1

H: Potassium voltage-gated channel subfamily H member 1

Summary:

• defined by author&software
• 35.6 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	35,648	2
Polymers	35,648	2
Non-polymers	0	0
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	1280 Å2
ΔGint	-9 kcal/mol
Surface area	13820 Å2
Method	PISA

Unit cell

Length a, b, c (Å)	162.380, 162.380, 100.440
Angle α, β, γ (deg.)	90.00, 90.00, 120.00
Int Tables number	170
Space group name H-M	P65

Components

#1: Protein

A C E G
Potassium voltage-gated channel subfamily H member 1 / Ether-a-go-go potassium channel 1 / EAG channel 1 / EAG1 / m-eag / Voltage-gated potassium channel subunit Kv10.1

Details:

Mass: 20130.373 Da / Num. of mol.: 4
Fragment: mEAG1 cyclic nucleotide-binding homology domain (unp residues 552-724)
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Gene: Eag, Kcnh1 / Plasmid: pETM11 / Production host: Escherichia coli (E. coli) / Strain (production host): BL-21 (DE3) / References: UniProt: Q60603

#2: Protein

B D F H
Potassium voltage-gated channel subfamily H member 1 / Ether-a-go-go potassium channel 1 / EAG channel 1 / EAG1 / m-eag / Voltage-gated potassium channel subunit Kv10.1

Details:

Mass: 15517.721 Da / Num. of mol.: 4 / Fragment: mEAG1 eag domain (unp residues 6-136)
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Gene: Eag, Kcnh1 / Plasmid: pETM11 / Production host: Escherichia coli (E. coli) / Strain (production host): BL-21 (DE3) / References: UniProt: Q60603

#3: Water

ChemComp-HOH / water

Details:

Mass: 18.015 Da / Num. of mol.: 1018 / Source method: isolated from a natural source / Formula: H₂O

• Has protein modification: Y

Experimental details

Experiment

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

Sample preparation

• Crystal: Density Matthews: 2.68 ų/Da / Density % sol: 54.12 %
• Crystal grow: Temperature: 293.15 K / Method: vapor diffusion, sitting drop / pH: 7.5 ; Details: 18% (w/v) PEG 3350, 1.8% (v/v) Tacsimate, 0.01M MnCl2 and 0.09M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K

Data collection

• Diffraction: Mean temperature: 100 K
• Diffraction source: Source: SYNCHROTRON / Site: ALS / Beamline: 8.2.1 / Wavelength: 1 Å
• Detector: Type: ADSC QUANTUM 315r / Detector: CCD / Date: Sep 24, 2012
• Radiation: Monochromator: Double crystal, Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 1 Å / Relative weight: 1
• Reflection: Resolution: 1.995→42.71 Å / Num. all: 102374 / Num. obs: 102374 / % possible obs: 100 % / Observed criterion σ(F): 2.7 / Observed criterion σ(I): 2.7 / Redundancy: 11.8 % / B_iso Wilson estimate: 33.8 Ų / R_merge(I) obs: 0.16 / Net I/σ(I): 9.5
• Reflection shell: Resolution: 2→2.1 Å / Redundancy: 9.4 % / R_merge(I) obs: 0.729 / Mean I/σ(I) obs: 2.7 / % possible all: 100

Processing

Software

Name	Version	Classification
BOS		data collection
PHASER		phasing
PHENIX	(phenix.refine: dev_1269)	refinement
MOSFLM		data reduction
SCALA		data scaling

Refinement

Method to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB entry 4F8A

4f8a

Resolution: 1.995→42.71 Å / SU ML: 0.2 / Isotropic thermal model: Isotropic / σ(F): 2.7 / Phase error: 19.74 / Stereochemistry target values: ML

	Rfactor	Num. reflection	% reflection	Selection details
Rfree	0.1974	5113	5 %	Random
Rwork	0.1669	-	-	-
obs	0.1684	102309	99.97 %	-
all	-	102374	-	-

• Solvent computation: Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
• Displacement parameters: B_iso mean: 41.6 Ų

Refinement step

Cycle: LAST / Resolution: 1.995→42.71 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	8871	0	0	1018	9889

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.007	9057
X-RAY DIFFRACTION	f_angle_d	1.043	12256
X-RAY DIFFRACTION	f_dihedral_angle_d	12.619	3186
X-RAY DIFFRACTION	f_chiral_restr	0.077	1402
X-RAY DIFFRACTION	f_plane_restr	0.003	1559

LS refinement shell

Resolution (Å)	Rfactor Rfree	Num. reflection Rfree	Rfactor Rwork	Num. reflection Rwork	Refine-ID	% reflection obs (%)
1.995-2.0177	0.2764	176	0.2418	3223	X-RAY DIFFRACTION	100
2.0177-2.0414	0.2477	172	0.2315	3217	X-RAY DIFFRACTION	100
2.0414-2.0663	0.2848	188	0.2137	3202	X-RAY DIFFRACTION	100
2.0663-2.0925	0.2584	160	0.203	3253	X-RAY DIFFRACTION	100
2.0925-2.12	0.2154	159	0.1936	3227	X-RAY DIFFRACTION	100
2.12-2.149	0.2313	176	0.1881	3229	X-RAY DIFFRACTION	100
2.149-2.1797	0.2186	162	0.1856	3238	X-RAY DIFFRACTION	100
2.1797-2.2123	0.2314	172	0.1811	3199	X-RAY DIFFRACTION	100
2.2123-2.2468	0.2297	160	0.1881	3278	X-RAY DIFFRACTION	100
2.2468-2.2837	0.2441	163	0.192	3237	X-RAY DIFFRACTION	100
2.2837-2.323	0.1911	202	0.1708	3187	X-RAY DIFFRACTION	100
2.323-2.3653	0.1874	177	0.1721	3191	X-RAY DIFFRACTION	100
2.3653-2.4108	0.2075	170	0.1733	3262	X-RAY DIFFRACTION	100
2.4108-2.46	0.213	175	0.1782	3215	X-RAY DIFFRACTION	100
2.46-2.5135	0.2142	171	0.1761	3243	X-RAY DIFFRACTION	100
2.5135-2.5719	0.2064	173	0.1793	3219	X-RAY DIFFRACTION	100
2.5719-2.6362	0.2456	170	0.1839	3234	X-RAY DIFFRACTION	100
2.6362-2.7075	0.2218	154	0.1808	3245	X-RAY DIFFRACTION	100
2.7075-2.7872	0.1947	162	0.1767	3270	X-RAY DIFFRACTION	100
2.7872-2.8771	0.2152	162	0.1682	3227	X-RAY DIFFRACTION	100
2.8771-2.9799	0.2215	183	0.1715	3236	X-RAY DIFFRACTION	100
2.9799-3.0992	0.2192	185	0.1714	3198	X-RAY DIFFRACTION	100
3.0992-3.2402	0.1851	170	0.1655	3278	X-RAY DIFFRACTION	100
3.2402-3.4109	0.2175	157	0.1619	3241	X-RAY DIFFRACTION	100
3.4109-3.6245	0.1606	179	0.1531	3225	X-RAY DIFFRACTION	100
3.6245-3.9042	0.1678	148	0.1474	3290	X-RAY DIFFRACTION	100
3.9042-4.2968	0.1605	160	0.1343	3268	X-RAY DIFFRACTION	100
4.2968-4.9178	0.17	181	0.1298	3260	X-RAY DIFFRACTION	100
4.9178-6.1928	0.1817	175	0.1661	3273	X-RAY DIFFRACTION	100
6.1928-42.7196	0.1937	171	0.1893	3331	X-RAY DIFFRACTION	100

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	4.0853	-1.0141	-0.1822	2.4625	0.6169	1.0272	0.0926	0.5532	-0.0282	-0.408	0.0292	-0.0821	-0.1361	0.0455	-0.0789	0.3132	-0.0428	0.0041	0.3127	-0.0104	0.2409	-37.9198	40.9985	-22.7779
2	2.657	0.5252	0.7225	3.9143	-0.1558	1.7819	-0.0377	0.1045	-0.2192	-0.2363	0.196	0.0834	0.2929	0.0429	-0.13	0.1911	-0.0087	-0.0013	0.1886	-0.0279	0.1879	-41.5271	33.8862	-18.9818
3	2.8313	2.0738	-0.0943	2.202	0.9354	2.1063	-0.069	0.5807	0.3756	-0.8411	0.3193	0.0622	-0.3767	-0.3481	0.0361	0.2265	0.0073	-0.0109	0.1091	0.1003	0.2878	-53.8372	51.791	-16.6914
4	2.2216	-0.1377	-0.8645	2.3349	0.4542	1.4841	-0.0158	0.0874	0.1579	-0.0831	0.0849	0.2076	-0.0599	-0.1933	-0.0836	0.1884	-0.0004	-0.0077	0.1554	0.039	0.1749	-54.0465	45.6273	-11.3096
5	1.3994	-0.6819	-0.276	1.8036	-0.1726	1.7857	-0.0695	0.0749	-0.0566	0.0321	0.1183	0.3128	-0.0165	-0.2322	0.0118	0.2001	-0.0426	-0.0232	0.1996	0.033	0.2898	-57.574	39.2088	-12.3958
6	8.7275	0.8496	-2.4478	4.6855	4.2304	5.015	-0.4016	-0.6157	-1.1332	-0.7499	-0.2738	-0.5704	0.8982	0.2688	0.293	1.1576	-0.2537	0.1418	0.6004	-0.1258	0.8422	-47.4603	52.3971	4.4146
7	0.3608	0.6417	1.1532	1.1372	2.0515	3.698	-0.9002	0.6302	1.2393	-1.3713	-0.6187	-0.932	-1.2413	1.207	0.7348	0.6791	-0.2204	0.0159	0.8351	0.2997	0.8778	-42.1574	44.5695	9.9297
8	3.5683	-1.6841	1.6707	1.4826	0.1589	4.5949	-0.2402	-0.1557	0.0105	0.2164	0.0131	0.0358	-0.7385	-0.4148	-0.0281	0.4175	-0.0623	0.095	0.2178	0.0804	0.2232	-59.2202	47.6555	6.6794
9	1.312	0.8593	1.1406	4.2869	-2.338	3.9802	0.204	0.301	-0.0406	-0.554	-0.4376	-0.8108	0.2627	0.9187	0.2258	0.3099	-0.0097	0.0927	0.2717	0.0814	0.2573	-50.4044	38.5145	5.4634
10	1.5654	-1.2337	0.0682	4.0621	-0.2531	2.9533	0.1466	0.1663	0.0002	-0.0847	-0.3544	-0.3263	0.2092	0.1233	0.1788	0.4399	-0.0103	0.0631	0.268	0.0021	0.277	-57.3256	37.782	2.9656
11	2.281	-0.1819	-1.9561	1.9267	-2.0372	7.6744	0.2403	-0.3263	-0.2773	0.2278	-0.0378	0.0832	-0.2038	-0.2203	-0.2423	0.2557	-0.0405	0.0238	0.2791	0.0324	0.2366	-63.9074	32.8891	14.84
12	2.5641	0.529	-0.5447	8.7419	-2.5492	5.0975	0.0979	0.1568	0.3751	-0.1675	0.1542	0.7577	-0.9983	-0.8723	-0.1905	0.389	0.0862	0.0783	0.3271	-0.0232	0.301	-65.9275	44.1085	18.7685
13	1.7624	0.777	-0.142	3.3236	-0.5456	1.0258	0.0881	-0.1842	0.0305	0.6314	0.0114	-0.5327	-0.3117	-0.1809	-0.0785	0.4748	-0.039	-0.0194	0.2384	-0.0071	0.2088	-59.0231	43.0513	18.9149
14	1.6842	0.0595	-0.0375	0.818	-0.9302	1.1625	-0.0135	-0.0157	0.2553	-0.8167	-0.0129	-0.3217	-0.3832	0.2348	0.1392	0.5126	-0.1376	0.0192	0.2104	-0.0001	0.2273	-55.2202	41.7581	13.7574
15	1.9972	-0.6103	-0.8307	3.554	-0.6784	2.573	0.1118	-0.1458	0.4004	0.1465	-0.3174	-0.8595	-0.3454	0.1874	0.1927	0.403	-0.1143	-0.0108	0.2765	0.016	0.3184	-51.3621	42.0346	14.7267
16	4.0983	1.0002	0.9166	3.2996	0.6267	4.6576	-0.0071	0.6131	-0.0006	-0.5071	0.1444	0.1794	-0.3535	0.1754	-0.1005	0.2982	0.0094	-0.0478	0.2746	-0.0229	0.3466	-61.9227	-0.5288	-36.3335
17	2.6989	-0.4738	-0.7565	2.48	0.9933	1.6724	-0.0932	0.0785	-0.145	-0.0924	-0.0522	0.2868	-0.0278	-0.2182	0.1392	0.2147	-0.0048	-0.0245	0.1699	-0.0272	0.2639	-61.9187	5.8174	-30.8086
18	3.1487	-1.5776	-2.5621	7.3739	0.836	2.1844	0.2504	0.5374	0.5637	-1.541	0.5078	-0.5379	-0.552	-0.0482	-0.1068	0.3792	-0.1218	0.1131	0.286	-0.1274	0.2202	-43.3539	8.6797	-41.7728
19	1.5643	1.0012	-0.0173	0.9368	0.5127	1.5593	-0.0431	-0	0.0248	-0.225	0.3065	-0.5092	-0.1154	0.2526	-0.158	0.22	-0.0443	0.069	0.2181	-0.0842	0.2937	-43.7671	9.4591	-31.8581
20	4.7038	-0.6331	-2.5119	2.2575	-0.176	1.5292	0.3608	0.7054	0.7534	-0.7233	-0.0414	0.1656	-1.0197	0.4259	-0.212	0.6065	-0.1138	0.1059	0.5153	0.0224	0.5179	-50.5886	21.5563	-37.5269
21	2.0441	0.7043	0.169	2.9136	-1.1381	0.5665	0.1638	0.1688	0.0158	-0.4132	0.0419	-0.7101	-0.1369	0.3843	0.824	0.2202	-0.0421	0.1349	0.2777	-0.0698	0.361	-39.244	3.008	-36.1213
22	3.9428	-0.4122	0.0943	2.1469	0.1448	2.6385	0.3215	0.4171	0.3421	-1.0268	-0.2151	0.0568	-0.2112	-0.0181	-0.0428	0.3277	0.0178	-0.0394	0.1721	0.0223	0.2102	-59.5361	11.6833	-36.6963
23	3.0671	0.9093	0.0667	0.3926	-0.2614	4.2496	0.1782	-0.015	0.0871	0.0971	-0.087	0.516	-0.5792	0.2623	-0.1247	0.2674	0.0169	0.0267	0.1655	-0.0245	0.2784	-63.9671	17.5583	-26.1386
24	1.3386	0.8287	-0.0226	0.5668	-0.1123	0.6848	-0.103	0.0673	0.8148	-0.242	0.3315	-0.343	-0.2353	0.0982	0.0466	0.2467	-0.1136	0.102	0.2293	-0.1077	0.4707	-40.8289	18.4979	-31.0211
25	0.0224	0.2402	-0.1244	3.3021	-0.8446	0.8141	0.1408	0.1173	0.12	-0.2468	-0.627	-0.7922	0.2151	0.4742	-0.146	0.1421	0.2012	0.0685	1.3341	-0.3914	0.9682	-16.4814	20.5054	-29.3482
26	1.35	0.0517	-1.409	1.1562	0.5271	5.1356	-0.0413	0.1746	-0.5362	0.5408	0.3519	-0.5407	0.6058	-0.0938	0.3361	0.6551	0.0706	-0.3621	0.272	-0.2022	0.5967	-36.1802	3.7693	-17.6607
27	2.9429	2.7831	-0.923	3.3969	0.2764	2.6207	0.2984	-0.3842	-0.1849	0.5065	0.2699	-0.586	0.2189	1.2618	-0.2759	0.3168	0.0296	-0.1358	0.4494	-0.2958	0.5613	-32.1311	12.264	-22.4419
28	1.1386	-0.1825	-1.3284	1.5126	1.1436	2.2613	0.3427	-0.4075	-0.2558	0.3607	0.1678	-0.2005	0.8301	0.4508	-0.1132	0.3793	-0.0224	-0.1474	0.1836	0.0143	0.3244	-41.3718	12.2556	-16.0023
29	2.394	0.6941	0.4351	0.4911	-0.5895	2.2317	0.2004	-0.1404	-0.1565	0.1282	0.4315	-0.8742	-0.274	1.9776	-0.2465	0.3306	-0.0472	-0.1278	0.6844	-0.4139	0.6084	-28.0654	17.022	-8.0185
30	2.1104	-0.5632	-1.5132	0.522	0.4041	1.1141	0.452	-0.3289	0.0812	0.1463	0.1784	-0.6334	0.5905	1.126	0.6809	0.4925	0.2531	-0.2041	0.7132	-0.2674	0.6145	-27.2297	9.9818	-8.9101
31	0.5	-0.4175	-0.5059	1.1772	0.5764	0.6556	0.5291	0.3634	-0.2084	-0.3183	0.1717	-0.6362	0.543	0.5616	0.4815	0.4453	0.2444	-0.14	0.5896	-0.2741	0.4942	-32.712	8.3971	-12.1095
32	4.1878	0.5027	-1.3866	0.6881	0.4939	4.1231	0.5806	-0.5346	-0.3458	0.2729	0.2885	-0.0989	0.7184	0.272	2.6642	0.6261	0.3202	-0.2502	0.4149	-0.2282	0.6686	-32.1233	5.7084	-13.135
33	3.3659	-0.4792	0.5119	2.2607	0.1897	1.0932	-0.0209	-0.4834	0.0601	0.4309	0.1992	0.0779	0.2758	-0.1287	-0.1561	0.4539	0.0103	-0.0188	0.3554	-0.0335	0.3055	-55.9106	1.4188	29.6245
34	3.2009	0.5706	0.543	3.2986	-0.1514	1.4293	0.0194	-0.0067	-0.1016	0.1828	-0.0127	-0.2991	0.0536	0.0787	-0.0515	0.2724	-0.003	-0.035	0.2032	-0.0182	0.2132	-53.142	8.6958	25.7982
35	0.7181	0.0003	0.3233	6.0501	2.7482	1.8243	0.329	-0.2451	-0.1219	1.1175	-0.4013	0.3419	0.3247	-0.4188	0.0076	0.2356	-0.0621	0.0742	0.2982	0.0321	0.2502	-74.7135	6.3931	23.2405
36	2.1772	-0.4858	0.6636	2.5365	-0.5183	1.5753	0.0758	-0.077	-0.0498	0.2505	0.0128	0.1567	0.0908	-0.103	-0.0589	0.1962	-0.03	0.0374	0.2012	0.0087	0.1974	-69.9614	10.2898	17.6528
37	2.9144	0.7777	0.4462	2.9553	0.3175	1.667	0.1153	-0.4533	0.341	0.4953	-0.3439	0.3575	-0.0668	-0.1671	0.1576	0.3043	-0.0471	0.0336	0.2531	-0.0469	0.1755	-59.6962	12.9885	29.563
38	4.0021	0.133	0.2294	2.9675	-0.5017	5.0498	0.3011	-0.2588	0.6581	0.4432	-0.0474	-0.1997	-0.0577	0.7481	-0.3597	0.3287	-0.0534	0.0179	0.2825	-0.0233	0.2621	-51.5782	21.4464	24.3341
39	2.103	-0.6221	1.2694	0.6461	-0.5796	1.6894	0.0221	0.3031	0.37	0.1662	-0.1681	0.0995	-0.1442	0.0231	0.0735	0.2164	-0.0332	0.0412	0.2581	-0.0251	0.2759	-73.9825	18.2229	13.7214
40	3.3256	-0.7224	-0.1684	3.5931	1.8545	0.9665	0.0079	0.035	0.5349	-0.0239	-0.8835	1.2408	-0.3771	-1.8522	-0.4049	0.258	0.0699	0.0511	0.9873	-0.1453	0.4963	-92.4845	18.1045	-0.3134
41	8.1856	2.5598	1.7636	3.3107	-1.6365	2.2854	-0.1462	-0.1715	1.7731	-1.0164	-0.1535	-0.6904	-1.1371	0.0025	-0.1555	1.3262	-0.1701	0.0379	0.457	-0.0372	0.7433	-72.7391	0.994	2.8997
42	0.3529	0.3008	0.6201	0.5061	0.9229	1.7088	-0.4524	-0.6328	-1.1678	0.1259	-0.2713	0.6499	0.464	-0.0557	0.1699	0.6468	0.1563	0.274	0.4538	0.2326	0.8076	-62.1836	2.2712	-2.7721
43	2.9282	-0.8898	-0.137	1.128	0.1788	1.956	-0.1595	-0.0824	-0.3989	-0.0612	0.0323	0.2661	0.1988	-0.298	0.1762	0.1836	-0.0278	0.0699	0.2112	0.0398	0.2299	-74.709	12.7747	-0.3234
44	5.3832	1.483	-2.4522	3.5278	-0.9656	3.8381	0.0721	-0.7719	-0.1147	0.3181	-0.2074	-0.3406	-0.0976	0.703	0.0695	0.2128	-0.0071	0.0281	0.2502	0.0638	0.2463	-62.148	12.3248	1.1793
45	5.1046	0.9553	-0.1804	1.1922	0.4466	2.1091	-0.1882	-0.3736	-0.2543	0.25	0.0056	-0.0605	-0.1586	-0.0233	0.2209	0.2378	-0.0574	0.0304	0.278	-0.02	0.2494	-66.2365	17.9772	3.5482
46	3.6681	0.2537	0.2045	3.2096	-1.0894	6.9492	-0.1199	0.149	0.4028	0.0309	0.0325	0.1137	-0.3671	-0.3032	0.1025	0.1928	0.0038	0.034	0.1697	0.0116	0.2096	-66.7972	26.107	-8.4357
47	6.6564	4.6664	-2.2615	4.0675	-1.4247	5.3381	0.0091	0.2887	0.934	0.0776	0.1478	0.8631	-0.5966	-1.0292	-0.3667	0.1616	0.0415	0.0401	0.3679	-0.0289	0.2585	-76.4136	20.0177	-12.515
48	1.1096	0.3852	-0.1499	1.9951	-0.4661	1.2167	-0.0326	0.4283	-0.3731	-0.3193	0.0822	-0.3004	0.141	-0.1556	-0.0065	0.2444	-0.0538	0.0637	0.2681	-0.0608	0.1794	-71.0231	15.6077	-12.4988
49	2.4098	1.5434	-0.7552	2.3023	-0.9303	1.2417	0.2655	-0.154	-0.2288	0.5068	-0.2861	-0.1329	0.1913	-0.0597	0.0911	0.2223	-0.0483	0.0642	0.1573	-0.0274	0.1943	-64.5374	16.5146	-8.2694
50	5.0429	2.0322	0.7186	3.6399	0.0026	0.4045	-0.2543	-0.1435	-0.3716	0.0884	-0.1974	0.3738	0.3196	-0.2528	-0.5751	0.5926	-0.3935	0.2081	0.4693	-0.1459	0.7252	-83.9553	-0.5135	-1.755
51	2.0107	0.6936	-0.029	1.3894	-0.8538	2.0236	-0.1881	0.1169	-0.4931	-0.0367	-0.0713	-0.1707	0.3604	-0.0076	0.3724	0.3618	-0.0114	0.0792	0.2579	-0.004	0.3327	-65.2414	10.4082	-8.0951
52	3.7695	0.0613	-0.3468	3.5131	-0.0122	2.5272	0.1498	-0.7809	0.3151	0.6673	0.0125	-0.0521	0.2754	-0.0854	-0.1896	0.4003	-0.0664	-0.0201	0.4721	-0.041	0.3206	-40.6137	46.7141	43.2904
53	3.7145	-2.0147	-0.9997	6.3393	0.6918	2.8492	-0.0382	-0.0577	-0.2096	-0.5431	-0.0819	0.7406	-0.3224	0.2899	0.1461	0.2473	-0.0411	-0.0403	0.3482	-0.0348	0.2059	-47.2176	41.0211	29.8631
54	8.1467	-1.9509	1.948	2.2323	-0.1773	2.4891	-0.2109	-0.9247	0.6204	0.5177	0.0226	-0.0583	-0.2512	-0.4108	0.2003	0.3408	-0.0986	0.0187	0.2755	-0.0784	0.2293	-44.3616	43.9168	42.1328
55	1.0048	-0.2733	-0.6495	0.9438	-1.3065	2.9822	0.5138	-0.6125	-0.2883	0.4983	0.0451	-0.0183	0.5091	-0.6172	1.0045	0.6033	-0.2106	-0.2943	0.4249	0.0739	0.2722	-35.3895	27.1586	48.5414
56	2.2033	-0.1628	0.128	2.4607	-0.1758	1.5436	0.3582	-0.0636	-0.3806	0.4191	-0.1064	-0.3042	0.3593	0.1153	-0.2151	0.3686	-0.0256	-0.1318	0.2668	0.0026	0.2558	-36.3152	26.7156	38.6713
57	2.8713	-1.2055	0.974	1.2907	-1.3799	1.5081	-0.0181	-0.9389	-0.5491	0.5666	0.2671	0.2754	0.3426	-0.7802	-0.1406	0.7503	-0.1674	-0.0593	0.6218	0.0665	0.4722	-50.0298	23.9523	44.3486
58	2.0432	1.7747	-0.5981	1.5403	-0.5551	0.2405	0.1962	-0.4744	-0.6781	-0.0792	-0.1407	-0.2167	0.5513	-0.1103	-0.0891	0.364	-0.0193	-0.1546	0.2312	0.0964	0.3893	-28.4984	27.6196	43.0019
59	4.6353	-0.72	0.7491	2.3321	-0.4811	2.5796	0.1989	-0.6956	-0.1467	0.3894	-0.2702	0.3228	0.1631	-0.2722	0.1012	0.3119	-0.1032	0.031	0.4209	-0.0693	0.2631	-48.3956	37.1694	43.361
60	2.0484	-0.2098	0.3561	4.1242	-0.945	6.1345	0.2934	0.1675	-0.247	-0.1854	-0.2261	0.7893	0.9854	-0.972	0.0084	0.2355	-0.0524	-0.025	0.2949	-0.0227	0.2359	-55.7443	36.4985	32.7171
61	1.6199	-1.9849	0.4499	4.0321	-1.7889	1.2719	0.4658	-0.0029	-0.91	0.4794	-0.1835	0.4942	0.5766	0.2415	-0.2764	0.4965	-0.0267	-0.2065	0.3033	0.0261	0.4512	-41.2556	18.5361	37.9104
62	0.1388	0.4975	-0.0897	4.1798	0.459	0.3016	-0.1	-0.8496	-0.5725	0.2817	0.0052	-0.1418	1.216	0.5577	0.085	1.0108	0.0836	-0.3521	0.634	0.081	1.0833	-27.6426	0.0437	36.9563
63	1.5447	-0.3231	1.9624	0.2183	0.1029	4.0729	-0.0176	0.2658	-0.2603	0.2309	0.326	-0.7049	0.0535	0.5938	0.0253	0.4396	-0.1223	-0.052	0.7299	-0.3484	0.6288	-27.1233	24.2617	24.5732
64	0.84	-0.0252	-0.0115	1.8642	-0.2971	3.6858	0.2481	0.0856	-0.6656	-0.1068	0.4069	-0.6535	0.7869	1.1545	-0.4319	0.3851	0.0505	-0.2152	0.3996	-0.2118	0.5699	-31.0282	16.0499	29.2299
65	4.4272	0.3502	1.5799	3.8462	1.6394	5.2433	0.0005	-0.449	0.2076	0.4467	-0.0389	-0.3532	-0.2856	-0.0333	0.063	0.3605	-0.1618	0.1163	0.3282	-0.0465	0.3437	-34.3913	27.9674	19.1933
66	3.1732	0.6891	0.3173	2.7906	-0.3299	2.8886	0.4866	0.2266	-0.0888	-0.4478	0.2876	-0.1448	-0.7317	0.2664	-0.4145	0.3221	-0.1284	0.0518	0.3064	-0.0649	0.2543	-40.0282	24.1733	23.8076
67	4.9488	-0.9004	-0.7533	4.8091	-1.3779	3.0172	-0.2179	0.5354	0.0396	0.1942	1.0934	-0.2643	0.792	0.7516	-0.5526	0.2768	0.0418	-0.1076	0.5062	-0.1808	0.4915	-35.1699	16.0203	25.7836
68	1.4184	0.034	-0.4012	0.5016	-0.1196	0.1474	0.2297	0.2064	-0.8042	0.0932	0.3001	-0.0185	1.2291	0.9045	-0.2693	0.6024	0.2429	-0.1951	0.5948	-0.2333	0.5733	-31.0165	9.4628	15.7215
69	1.2568	0.2524	0.0644	0.2754	-0.4247	0.8761	0.157	-0.1872	-0.5496	0.1111	0.3858	-0.8048	0.7589	1.1243	0.6449	0.228	0.2974	-0.4223	0.8866	-0.5065	0.7335	-25.3538	13.3572	16.0315
70	2.5857	-2.3599	0.5123	4.6013	2.8401	6.1066	0.0089	0.0297	-0.1654	-0.1001	0.1445	0.1353	0.1056	0.1236	-0.1803	0.2543	-0.049	-0.0593	0.4842	-0.0076	0.3711	-42.1898	22.1358	12.2143
71	1.1431	0.1426	0.2199	0.5337	-0.2682	0.2262	0.766	-0.5924	-0.4529	0.2146	0.5698	-0.7278	0.5312	0.9674	1.9895	0.1582	0.0958	-0.3227	1.092	-0.4632	0.7381	-23.0284	17.5269	21.4414
72	2.2605	0.2861	0.2548	0.6635	0.0991	1.579	0.2847	0.4498	-0.1352	-0.1513	0.3949	-0.2476	-0.0361	0.6502	2.4893	0.0708	-0.1079	-0.0434	0.9928	-0.4117	0.5382	-25.7527	20.3862	19.3046

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 548 through 576 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 577 through 602 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 603 through 616 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 617 through 666 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 667 through 720 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 17 through 22 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 23 through 28 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 29 through 41 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 42 through 53 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 54 through 67 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 68 through 76 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 77 through 88 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 89 through 100 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 101 through 122 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 123 through 136 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 550 through 576 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 577 through 602 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 603 through 616 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 617 through 648 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 649 through 658 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 659 through 666 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 667 through 683 )
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 684 through 694 )
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 695 through 709 )
25	X-RAY DIFFRACTION	25	chain 'C' and (resid 710 through 717 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 25 through 34 )
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 35 through 46 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 47 through 67 )
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 68 through 88 )
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 89 through 100 )
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 101 through 122 )
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 123 through 134 )
33	X-RAY DIFFRACTION	33	chain 'E' and (resid 548 through 576 )
34	X-RAY DIFFRACTION	34	chain 'E' and (resid 577 through 602 )
35	X-RAY DIFFRACTION	35	chain 'E' and (resid 603 through 616 )
36	X-RAY DIFFRACTION	36	chain 'E' and (resid 617 through 666 )
37	X-RAY DIFFRACTION	37	chain 'E' and (resid 667 through 683 )
38	X-RAY DIFFRACTION	38	chain 'E' and (resid 684 through 694 )
39	X-RAY DIFFRACTION	39	chain 'E' and (resid 695 through 709 )
40	X-RAY DIFFRACTION	40	chain 'E' and (resid 710 through 718 )
41	X-RAY DIFFRACTION	41	chain 'F' and (resid 17 through 22 )
42	X-RAY DIFFRACTION	42	chain 'F' and (resid 23 through 28 )
43	X-RAY DIFFRACTION	43	chain 'F' and (resid 29 through 41 )
44	X-RAY DIFFRACTION	44	chain 'F' and (resid 42 through 53 )
45	X-RAY DIFFRACTION	45	chain 'F' and (resid 54 through 67 )
46	X-RAY DIFFRACTION	46	chain 'F' and (resid 68 through 76 )
47	X-RAY DIFFRACTION	47	chain 'F' and (resid 77 through 88 )
48	X-RAY DIFFRACTION	48	chain 'F' and (resid 89 through 100 )
49	X-RAY DIFFRACTION	49	chain 'F' and (resid 101 through 117 )
50	X-RAY DIFFRACTION	50	chain 'F' and (resid 118 through 122 )
51	X-RAY DIFFRACTION	51	chain 'F' and (resid 123 through 136 )
52	X-RAY DIFFRACTION	52	chain 'G' and (resid 549 through 576 )
53	X-RAY DIFFRACTION	53	chain 'G' and (resid 577 through 586 )
54	X-RAY DIFFRACTION	54	chain 'G' and (resid 587 through 602 )
55	X-RAY DIFFRACTION	55	chain 'G' and (resid 603 through 616 )
56	X-RAY DIFFRACTION	56	chain 'G' and (resid 617 through 648 )
57	X-RAY DIFFRACTION	57	chain 'G' and (resid 649 through 658 )
58	X-RAY DIFFRACTION	58	chain 'G' and (resid 659 through 666 )
59	X-RAY DIFFRACTION	59	chain 'G' and (resid 667 through 683 )
60	X-RAY DIFFRACTION	60	chain 'G' and (resid 684 through 694 )
61	X-RAY DIFFRACTION	61	chain 'G' and (resid 695 through 709 )
62	X-RAY DIFFRACTION	62	chain 'G' and (resid 710 through 717 )
63	X-RAY DIFFRACTION	63	chain 'H' and (resid 26 through 34 )
64	X-RAY DIFFRACTION	64	chain 'H' and (resid 35 through 46 )
65	X-RAY DIFFRACTION	65	chain 'H' and (resid 47 through 53 )
66	X-RAY DIFFRACTION	66	chain 'H' and (resid 54 through 60 )
67	X-RAY DIFFRACTION	67	chain 'H' and (resid 61 through 67 )
68	X-RAY DIFFRACTION	68	chain 'H' and (resid 68 through 88 )
69	X-RAY DIFFRACTION	69	chain 'H' and (resid 89 through 100 )
70	X-RAY DIFFRACTION	70	chain 'H' and (resid 101 through 105 )
71	X-RAY DIFFRACTION	71	chain 'H' and (resid 106 through 122 )
72	X-RAY DIFFRACTION	72	chain 'H' and (resid 123 through 135 )