PDB-4nj6: PB1 Domain of AtARF7

Basic information

• Entry: Database: PDB / ID: 4nj6
• Title: PB1 Domain of AtARF7
• Components: Auxin response factor 7
• Keywords: PROTEIN BINDING / PB1 domain / Beta-grasp fold

Function / homology

Function:

callus formation / lateral root formation / blue light signaling pathway / response to ethylene / gravitropism / lateral root development / phototropism / leaf development / response to auxin / auxin-activated signaling pathway / DNA-binding transcription factor activity / positive regulation of DNA-templated transcription / DNA binding / nucleus

Domain/homology:

Auxin response factor domain / Auxin response factor / Auxin response factor / AUX/IAA domain / AUX/IAA family / B3 DNA binding domain / B3 DNA binding domain / B3 DNA-binding domain profile. / B3 DNA binding domain / DNA-binding pseudobarrel domain superfamily / PB1 domain profile. / PB1 domain / Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 1 / Ubiquitin-like (UB roll) / Roll / Alpha Beta

Component:

Auxin response factor 7

• Biological species: Arabidopsis thaliana (thale cress)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.4 Å
• Authors: Korasick, D.A. / Westfall, C.S. / Lee, S.G. / Nanao, M. / Jez, J.M. / Strader, L.C.
• Citation: Journal: Proc.Natl.Acad.Sci.USA / Year: 2014; Title: Molecular basis for AUXIN RESPONSE FACTOR protein interaction and the control of auxin response repression.; Authors: Korasick, D.A. / Westfall, C.S. / Lee, S.G. / Nanao, M.H. / Dumas, R. / Hagen, G. / Guilfoyle, T.J. / Jez, J.M. / Strader, L.C.

History

Deposition	Nov 8, 2013	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Mar 26, 2014	Provider: repository / Type: Initial release
Revision 1.1	May 14, 2014	Group: Database references
Revision 1.2	Feb 28, 2024	Group: Data collection / Database references Category: chem_comp_atom / chem_comp_bond / database_2 / struct_ref_seq_dif Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details

Assembly

Deposited unit

A: Auxin response factor 7

B: Auxin response factor 7

C: Auxin response factor 7

D: Auxin response factor 7

E: Auxin response factor 7

F: Auxin response factor 7

G: Auxin response factor 7

H: Auxin response factor 7

I: Auxin response factor 7

J: Auxin response factor 7

K: Auxin response factor 7

L: Auxin response factor 7

M: Auxin response factor 7

N: Auxin response factor 7

O: Auxin response factor 7

P: Auxin response factor 7

Summary:

• 174 kDa, 16 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	174,195	16
Polymers	174,195	16
Non-polymers	0	0
Water	8,827	490

1

A: Auxin response factor 7

Summary:

• defined by author
• 10.9 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,887	1
Polymers	10,887	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

2

B: Auxin response factor 7

Summary:

• defined by author
• 10.9 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,887	1
Polymers	10,887	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

3

C: Auxin response factor 7

Summary:

• defined by author
• 10.9 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,887	1
Polymers	10,887	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

4

D: Auxin response factor 7

Summary:

• defined by author
• 10.9 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,887	1
Polymers	10,887	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

5

E: Auxin response factor 7

Summary:

• defined by author
• 10.9 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,887	1
Polymers	10,887	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

6

F: Auxin response factor 7

Summary:

• defined by author
• 10.9 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,887	1
Polymers	10,887	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

7

G: Auxin response factor 7

Summary:

• defined by author
• 10.9 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,887	1
Polymers	10,887	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

8

H: Auxin response factor 7

Summary:

• defined by author
• 10.9 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,887	1
Polymers	10,887	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

9

I: Auxin response factor 7

Summary:

• defined by author
• 10.9 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,887	1
Polymers	10,887	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

10

J: Auxin response factor 7

Summary:

• defined by author
• 10.9 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,887	1
Polymers	10,887	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

11

K: Auxin response factor 7

Summary:

• defined by author
• 10.9 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,887	1
Polymers	10,887	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

12

L: Auxin response factor 7

Summary:

• defined by author
• 10.9 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,887	1
Polymers	10,887	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

13

M: Auxin response factor 7

Summary:

• defined by author
• 10.9 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,887	1
Polymers	10,887	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

14

N: Auxin response factor 7

Summary:

• defined by author
• 10.9 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,887	1
Polymers	10,887	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

15

O: Auxin response factor 7

Summary:

• defined by author
• 10.9 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,887	1
Polymers	10,887	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

16

P: Auxin response factor 7

Summary:

• defined by author
• 10.9 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,887	1
Polymers	10,887	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

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

Unit cell

Length a, b, c (Å)	150.591, 150.591, 183.616
Angle α, β, γ (deg.)	90.00, 90.00, 120.00
Int Tables number	146
Space group name H-M	H3

Components

#1: Protein

A B C D E F G H I J K L M N O P
Auxin response factor 7 / Auxin-responsive protein IAA21/IAA23/IAA25 / Protein BIPOSTO / Protein NON-PHOTOTROPIC HYPOCOTYL 4 / Protein TRANSPORT INHIBITOR RESPONSE 5

Details:

Mass: 10887.215 Da / Num. of mol.: 16 / Fragment: PB1 Domain (UNP Residues 1036-1126) / Mutation: K1042A, D1092A, D1096A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Arabidopsis thaliana (thale cress)
Gene: ARF7, BIP, IAA21, IAA23, IAA25, NPH4, TIR5, At5g20730, T1M15.130
Plasmid: pET28a / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P93022

#2: Water

ChemComp-HOH / water / Water

Details:

Mass: 18.015 Da / Num. of mol.: 490 / Source method: isolated from a natural source / Formula: H₂O

Experimental details

Experiment

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

Sample preparation

• Crystal: Density Matthews: 2.3 ų/Da / Density % sol: 46.53 %
• Crystal grow: Temperature: 277 K / pH: 6.5 ; Details: 25% PEG-6000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Data collection

• Diffraction: Mean temperature: 77 K
• Diffraction source: Source: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.979
• Detector: Type: ADSC QUANTUM 315r / Detector: CCD / Date: Aug 1, 2013
• Radiation: Monochromator: SI 111 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 0.979 Å / Relative weight: 1
• Reflection: Resolution: 2.4→33.7 Å / Num. obs: 59901 / % possible obs: 98.7 % / Observed criterion σ(I): 0
• Reflection shell: Resolution: 2.4→2.46 Å / % possible all: 99.7

Processing

Software

Name	Version	Classification
HKL-3000		data collection
PHASER		phasing
PHENIX	(phenix.refine: 1.7.3_928)	refinement
HKL-3000		data reduction
HKL-3000		data scaling

Refinement

Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.4→33.65 Å / SU ML: 0.42 / σ(F): 1.98 / Phase error: 28.17 / Stereochemistry target values: ML

	Rfactor	Num. reflection	% reflection
Rfree	0.271	1946	3.25 %
Rwork	0.209	-	-
obs	0.211	59901	98.7 %
all	-	60680	-

• Solvent computation: Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 38.52 Ų / k_sol: 0.34 e/ų

Displacement parameters

	Baniso -1	Baniso -2	Baniso -3
1-	-0.0334 Å2	-0 Å2	0 Å2
2-	-	-0.0334 Å2	-0 Å2
3-	-	-	0.0668 Å2

Refinement step

Cycle: LAST / Resolution: 2.4→33.65 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	11186	0	0	490	11676

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.008	11374
X-RAY DIFFRACTION	f_angle_d	1.272	15366
X-RAY DIFFRACTION	f_dihedral_angle_d	18.148	4210
X-RAY DIFFRACTION	f_chiral_restr	0.096	1671
X-RAY DIFFRACTION	f_plane_restr	0.005	2006

LS refinement shell

Resolution (Å)	Rfactor Rfree	Num. reflection Rfree	Rfactor Rwork	Num. reflection Rwork	Refine-ID	% reflection obs (%)
2.4-2.4596	0.3477	144	0.2874	4133	X-RAY DIFFRACTION	99
2.4596-2.5261	0.3485	140	0.2884	4202	X-RAY DIFFRACTION	100
2.5261-2.6004	0.3649	136	0.2739	4126	X-RAY DIFFRACTION	100
2.6004-2.6843	0.3327	141	0.2687	4186	X-RAY DIFFRACTION	99
2.6843-2.7802	0.3472	128	0.2536	4187	X-RAY DIFFRACTION	99
2.7802-2.8914	0.3178	142	0.2404	4170	X-RAY DIFFRACTION	99
2.8914-3.0229	0.328	147	0.2274	4137	X-RAY DIFFRACTION	99
3.0229-3.1822	0.2874	144	0.2244	4145	X-RAY DIFFRACTION	99
3.1822-3.3814	0.2876	140	0.216	4122	X-RAY DIFFRACTION	99
3.3814-3.6422	0.297	147	0.2104	4138	X-RAY DIFFRACTION	99
3.6422-4.0082	0.2531	129	0.1993	4152	X-RAY DIFFRACTION	98
4.0082-4.587	0.1886	137	0.1603	4109	X-RAY DIFFRACTION	98
4.587-5.7743	0.2195	154	0.1721	4088	X-RAY DIFFRACTION	98
5.7743-33.6564	0.2641	117	0.1927	4060	X-RAY DIFFRACTION	96

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	7.1444	-2.1317	1.3342	1.0189	-1.8251	5.5632	-0.2007	0.3445	0.146	-0.2593	-0.1012	-0.4191	-0.927	0.4862	-2.3323	0.1831	-0.0456	0.1121	0.4702	-0.2023	0.3933	127.8176	124.4551	33.8633
2	3.2155	2.9179	0.4566	6.5505	3.6339	6.552	0.3316	-0.4281	-1.1046	0.8411	-0.3827	-0.9522	0.69	0.1803	0.1076	0.2517	-0.0128	-0.0101	0.249	0.0569	0.3624	120.2454	115.5779	37.4367
3	7.8355	1.2113	-2.5197	7.9934	-1.3903	4.1158	0.591	-1.6913	0.5404	1.5904	0.0083	-0.0472	-0.2343	-0.5207	-0.5729	0.4877	-0.0711	0.0339	0.5282	-0.027	0.2715	118.2479	125.7464	43.4778
4	3.3529	2.7734	-4.0149	6.2441	-4.3533	5.323	-0.3914	0.543	0.1034	-0.4039	0.4874	-0.3813	0.7536	-0.2357	-0.0662	0.2381	-0.0697	-0.0024	0.2933	-0.017	0.28	112.7327	127.3819	28.5317
5	5.8113	-1.0097	-1.4054	6.403	-6.7676	8.2673	0.1646	1.1692	-0.4769	-0.8492	0.9605	0.5672	0.2531	-0.9014	0.2259	0.2999	-0.1269	0.0712	0.4973	-0.0315	0.3065	113.3454	118.7509	27.4756
6	8.5722	-4.1041	0.251	8.3063	0.9023	8.4638	-0.3939	-0.4341	1.1704	0.6028	0.7464	-0.8393	-0.9379	0.5847	-0.57	0.2094	-0.0261	0.014	0.3639	-0.0201	0.4671	120.8256	134.6023	37.5473
7	3.5054	4.3476	2.25	6.5824	0.3689	6.8109	0.3713	-0.5099	-0.7601	-0.4395	-0.0695	-0.2399	0.5801	-0.1279	-0.1681	0.4114	0.0699	-0.038	0.3284	0.1063	0.3851	95.9483	143.0987	13.9006
8	7.0119	0.6269	7.3976	5.0611	0.3703	7.8382	-0.102	-1.251	-0.0036	0.2334	-0.2704	0.5723	0.2254	-0.6635	0.3322	0.3351	0.1158	0.1289	0.4252	0.0842	0.2544	85.0043	148.6517	13.1093
9	4.9033	0.916	2.3042	3.8773	1.5697	5.8639	-0.0081	0.3479	0.8153	-0.2798	-0.2386	-0.3158	-1.1246	0.0127	0.3371	0.4409	0.0623	0.1199	0.2748	0.1503	0.5617	92.8377	156.3309	8.2585
10	8.4717	4.0573	-7.7052	1.9644	-3.49	9.0006	-0.7492	0.2288	-3.9512	-1.826	-0.0307	2.7479	2.9244	-2.4002	0.1252	0.7626	-0.3018	0.0587	0.5507	-0.2033	1.2462	94.2279	137.6734	-1.6615
11	8.849	-0.785	2.1667	7.5064	1.808	6.5451	0.0626	0.5737	-0.0685	-0.1955	-0.1318	0.1412	0.0364	0.4472	0.0795	0.2987	0.0772	0.0535	0.3004	0.0666	0.2186	92.5751	147.1052	2.5419
12	1.8314	-2.0941	-3.6891	5.5724	2.5661	8.9258	0.1747	0.0461	0.8467	-0.4825	-0.0747	-0.1473	-0.3318	-0.3243	-0.0733	0.2454	0.0095	0.0126	0.2824	-0.0968	0.2483	130.8218	95.4228	33.4542
13	6.5849	-2.8926	-1.8206	6.1095	1.321	8.0714	-0.1019	0.1872	-1.245	-0.0748	-0.0533	0.815	0.6891	-0.6525	0.0765	0.258	-0.0951	-0.0095	0.3403	-0.1041	0.3297	125.4075	87.923	41.7321
14	6.5931	2.9401	-0.679	4.0091	3.0796	4.6108	0.117	-0.396	-0.2239	0.7795	-0.0649	-0.2209	0.0769	0.5304	-0.1175	0.3705	0.0215	-0.06	0.3543	-0.0405	0.2205	135.12	92.6944	45.0483
15	7.5074	1.7163	0.0617	6.7032	-0.1445	8.1652	0.133	-0.487	0.3768	0.1588	-0.1465	0.3981	-0.2943	-0.2467	-0.0294	0.2617	-0.0258	0.0275	0.1648	-0.0204	0.2591	131.7872	98.362	45.6068
16	6.0165	1.9954	0.996	4.1852	0.0039	3.8821	0.1428	-0.1627	-0.7231	0.304	0.0818	0.4054	0.3811	-0.2134	-0.0069	0.3235	-0.0505	0.03	0.245	0.1256	0.3743	101.4006	108.4808	45.9945
17	8.2158	0.9695	-1.6069	4.2049	0.9076	6.3168	0.3304	-0.0601	0.6205	0.0229	0.2874	0.061	-0.1788	-0.1572	-0.5344	0.3127	-0.12	0.0468	0.28	0.0971	0.3667	96.1021	116.6659	44.2255
18	6.5897	2.4518	-0.1105	4.4431	-0.4472	6.3468	0.3899	-0.6866	0.6831	0.695	-0.1847	0.5874	0.0191	-0.1367	-0.1656	0.3536	-0.11	0.0935	0.3574	0.0872	0.2374	97.1741	118.0305	50.6048
19	6.5793	-2.3299	4.4388	8.5406	-4.9964	7.7116	0.0747	0.1574	-0.0487	-0.4785	0.1271	0.5211	-0.5944	1.0648	-0.1513	0.3263	-0.0589	0.0805	0.3514	-0.0038	0.2136	124.4391	140.7923	0.4623
20	7.5521	3.8553	-7.2935	6.669	-5.6756	9.1095	0.1064	-1.0421	0.527	0.0138	0.2891	0.0351	-0.1984	1.8619	0.2688	0.3116	-0.1752	0.0753	0.4501	0.0045	0.317	124.3443	138.0134	13.6539
21	5.0265	-0.7401	0.3824	4.6525	-3.0516	2.0107	-0.0752	-0.5322	0.5133	0.6938	0.0771	0.1914	-1.6538	-0.3024	-0.0399	0.3554	-0.095	0.0568	0.3151	-0.1055	0.3547	116.352	141.2599	11.3321
22	5.3513	2.4403	1.919	6.3971	-2.9012	5.567	-0.0483	0.0675	-0.1278	-0.02	0.028	-0.0478	-0.0502	0.0211	-0.1288	0.2283	-0.0462	0.0895	0.308	-0.1067	0.2465	113.4491	134.7345	3.1231
23	4.0235	-1.3955	2.4515	8.8306	-5.2663	9.1834	0.181	0.3868	-0.3072	-0.6956	0.0404	0.2738	1.0402	0.2622	-0.2117	0.2402	-0.08	0.088	0.3029	-0.0182	0.2739	118.4313	131.7711	2.8018
24	6.6972	-0.0815	2.1168	6.0457	1.3866	3.9642	-0.4562	0.4641	-1.0635	-0.1003	-0.596	1.1186	0.5126	-0.361	0.3686	0.2026	-0.0036	0.0011	0.4167	-0.1054	0.4339	98.6419	75.197	22.9493
25	4.0584	-1.1123	-5.5178	3.3635	2.9363	8.1685	0.6804	2.2664	0.677	-1.0734	0.0985	-0.0577	-0.04	-0.8534	-0.4479	0.3776	0.0304	0.071	0.7046	0.1959	0.4632	104.5456	78.3559	12.6087
26	3.283	-1.6105	-5.1907	2.9635	3.6197	9.0185	-0.297	0.4904	1.1164	-0.7035	-0.054	-0.6189	-0.6693	-0.0828	0.1209	0.3457	-0.0301	-0.0229	0.3597	0.1857	0.4722	107.0557	84.2937	18.5637
27	7.7593	-0.0157	0.2487	3.6286	-2.856	7.6241	0.1582	-0.1273	-0.248	0.232	-0.5529	-0.6206	-0.3801	0.5492	0.2594	0.1827	-0.0582	-0.1262	0.3217	0.0842	0.4726	108.7904	79.7874	26.5716
28	4.3068	-0.9479	-1.7699	1.7891	0.1489	5.3124	-0.0112	0.4571	-0.4269	-0.5695	-0.8419	-1.9168	0.7333	0.2276	0.5015	0.1035	0.274	0.2697	0.3597	0.2125	0.977	111.9908	72.5962	20.119
29	5.9128	-6.6933	-3.8868	8.1996	3.162	5.0967	-0.7887	-0.5041	1.6495	0.656	0.4558	-1.2729	-0.1276	0.9767	0.04	0.2983	-0.1042	0.022	0.3062	-0.024	0.4095	106.8571	75.5715	38.0623
30	8.1966	0.7881	-3.4953	3.7662	-0.6284	7.1276	-0.2958	0.1432	-0.5331	-0.3867	0.0071	-0.036	1.121	0.2304	0.1236	0.4246	0.0621	-0.0231	0.2488	0.0926	0.2042	127.2117	88.6285	13.9625
31	3.756	4.1924	-2.9341	5.6797	-4.1462	6.1973	0.1231	-0.08	1.389	0.7029	0.1311	0.5156	-0.4479	0.1462	-0.1477	0.3994	0.0591	-0.0026	0.2668	-0.0605	0.411	129.2344	95.3973	25.4248
32	4.254	0.9396	2.8851	3.0627	0.72	7.134	0.268	-0.1285	1.3094	-0.3811	-0.325	-0.2656	0.4399	0.4814	0.0899	0.332	-0.0305	0.0937	0.278	0.1043	0.3175	131.0135	93.5203	21.9408
33	4.3974	-2.3399	-0.7775	4.5496	-4.661	8.6771	0.319	-0.1001	-0.2259	-0.4144	-0.3114	-0.2838	0.3357	0.4011	0.011	0.3289	-0.0627	-0.0152	0.4142	-0.0214	0.232	144.4254	149.7453	24.3744
34	8.9832	-0.7399	-2.113	5.6039	-0.581	5.1691	0.5904	-0.0767	0.5373	0.2761	0.3376	0.3661	-1.0372	-0.6745	-0.8733	0.463	0.046	0.0356	0.3761	0.0245	0.2703	135.9487	157.1851	25.9901
35	6.5448	2.9353	-4.6182	8.6387	0.6116	4.5103	0.3012	1.1326	0.6039	-0.9937	-0.116	0.4518	-0.5194	-0.8145	-0.1686	0.3702	-0.0196	-0.0437	0.3752	-0.0681	0.2979	133.1158	105.8497	53.0276
36	3.5795	0.0958	1.2858	2.6351	3.6493	7.5604	0.5589	-0.3965	-0.3716	0.2195	-0.5744	-0.0345	1.0645	-1.661	-0.0125	0.4335	-0.1855	0.0208	0.435	-0.0695	0.2404	129.2196	102.0213	63.9396
37	3.7624	-2.8894	-4.9063	3.6389	3.8857	7.981	0.2996	-0.4649	-0.0345	-0.0618	-0.0835	-1.0418	0.9596	1.7634	-0.1892	0.4077	0.0588	-0.0691	0.3884	0.012	0.2739	137.5958	103.6044	65.8302
38	2.9652	-0.8193	-0.5653	6.9592	1.3726	7.9416	-0.687	-0.328	0.2028	-0.0781	0.5863	-0.794	-1.1286	1.3047	0.2845	0.3975	-0.1582	-0.0617	0.5793	-0.0747	0.3199	141.1392	111.2876	61.8683
39	2.5623	0.6146	1.7573	5.9438	1.7415	8.7066	-0.0593	0.1466	0.2934	-0.7651	0.1381	0.2151	-1.7224	-0.4533	-0.0686	0.569	-0.0203	0.0214	0.3445	-0.0637	0.2183	133.7232	115.2062	61.3222
40	2.9341	-0.8923	-1.9046	5.0234	0.6879	2.3025	-0.1348	-0.4738	0.9794	0.762	0.231	0.032	0.0716	0.6157	-0.2211	0.317	0.0619	0.0825	0.3866	0.077	0.4348	143.4304	105.3765	-5.4656
41	8.2026	-1.601	-0.0501	5.1156	-1.7289	0.8416	-0.2052	1.4503	0.2802	-1.2	0.5626	0.8587	0.1983	-0.4667	-0.2258	0.4393	-0.082	-0.162	0.4936	0.1723	0.3496	131.5291	105.5374	-8.8677
42	9.7805	1.8087	-1.4647	8.9442	-5.293	3.1766	0.1195	-0.0052	-1.0262	-0.0857	0.0611	-0.4401	0.1644	-0.3873	-0.4367	0.3695	0.0147	-0.1196	0.2622	0.0228	0.4065	136.8941	96.8662	-2.4019
43	8.9992	-1.8159	-1.6809	5.7037	-2.1616	5.8553	-0.4033	-1.2742	-0.3898	-0.0364	0.4394	0.2534	-0.1736	0.2679	-0.0374	0.2868	-0.0092	-0.0262	0.288	0.0545	0.2366	133.9915	102.0385	2.2423
44	4.8955	0.1527	-0.3697	7.8951	-4.3495	2.7809	-0.1965	0.0557	0.233	0.025	-0.5314	-1.7978	-0.2063	0.8823	0.567	0.273	-0.0726	0.0226	0.257	-0.0404	0.5336	112.1376	122.6899	0.4632
45	7.5955	6.5005	-5.2298	5.828	-5.1454	5.0768	0.9555	-0.6938	-0.2183	1.2125	-0.6836	-0.0849	-0.9419	-0.0166	-0.1508	0.31	-0.0945	0.0566	0.4143	-0.1217	0.382	104.7694	118.4887	9.1124
46	2.9458	3.1781	-3.9087	4.288	-6.2256	9.907	0.1497	0.2487	0.0462	0.6115	1.0226	0.6795	-0.6032	-1.3197	0.3996	0.1965	-0.0652	-0.0071	0.3081	-0.0931	0.4798	98.994	119.0804	2.7405
47	5.2065	0.0824	1.6751	6.4704	-3.5116	5.7368	-0.5606	0.933	0.0161	-0.3231	0.3628	0.6548	0.1063	-0.5111	0.2469	0.3224	-0.0902	-0.0124	0.3414	-0.1786	0.5158	100.0814	117.8574	-6.1087
48	5.7115	2.5843	-4.9588	1.9745	-1.6824	5.5743	0.1618	-1.8092	-0.3098	0.1654	-0.3897	-0.7344	0.1116	0.5736	0.3129	0.2696	0.026	0.0168	0.4838	-0.0543	0.534	110.3983	106.9012	-2.1091
49	5.545	0.9513	-4.3073	7.3582	-3.3504	7.7363	-0.3221	0.02	-0.5125	-0.6771	-0.1084	-0.4733	0.5446	0.2485	0.4387	0.2395	-0.0637	0.0104	0.1872	-0.0761	0.4866	108.409	112.9576	-3.4632
50	6.3973	0.9088	2.2015	6.8085	5.9587	5.8456	-0.1175	-0.0972	-1.4846	-0.4782	0.7012	-0.1325	0.0059	0.6175	-0.1773	0.234	-0.0059	-0.1058	0.4185	0.0078	0.4241	105.424	130.4134	27.7733
51	8.051	-0.8583	3.0144	2.2754	-0.1604	1.8135	0.023	-1.3525	0.118	0.8101	0.4233	0.5311	-0.3395	-0.9512	-0.2376	0.3545	0.063	0.1133	0.6496	0.1894	0.3155	99.1751	133.3289	32.9855
52	6.076	3.0225	1.498	1.7118	-0.068	3.6249	-0.1312	-0.9448	1.7777	0.9862	0.2963	0.8735	-1.6669	-0.9167	-0.0794	0.8297	0.3244	0.1641	0.5284	-0.1049	0.5589	100.3981	143.2325	31.0327
53	6.6836	-0.3756	-4.0393	5.109	-7.15	2.0019	-0.5648	2.3716	-0.5646	-1.2037	0.9328	-0.8483	1.8557	-1.3652	-0.0289	0.5042	0.1723	0.1684	1.0157	-0.0679	0.5844	102.2803	134.3169	12.8958
54	6.8462	-3.886	3.7021	6.9055	0.0651	6.5455	0.1608	0.1782	-0.0258	-0.157	0.2702	0.123	-0.3594	-0.3108	-0.3951	0.2772	0.0304	0.0725	0.3159	0.0733	0.2289	99.267	138.3192	21.9361
55	4.0155	0.9869	-3.0085	7.181	-3.7608	4.2543	-0.1169	-0.9673	-0.1518	1.9702	-0.4283	1.1454	0.1476	0.0836	-2.9523	0.522	0.3108	0.5384	0.1886	-0.2539	0.575	109.1213	99.5346	-3.2579
56	2.7335	1.7402	-1.5178	7.1974	-0.6917	4.1116	-0.4125	0.433	-0.1358	-0.0301	0.2628	1.9465	-0.0055	-0.7794	0.055	0.2288	-0.007	0.1344	0.3414	-0.1448	0.9418	102.2992	95.6006	-9.3085
57	7.1167	0.6311	-4.7553	6.0718	-0.6676	6.9296	-0.4917	0.4425	-0.4602	-1.141	-0.0966	0.1667	0.8	-0.5492	0.4053	0.4601	0.0849	-0.0222	0.413	-0.1828	0.4393	110.2241	91.0808	-14.6135
58	3.619	-2.8262	1.9672	9.2764	1.275	6.2547	-0.2672	0.0903	-0.3661	0.5376	-0.2718	-0.3795	0.5018	0.6211	0.1009	0.4475	0.1134	0.1911	0.1898	-0.1422	0.5034	112.7786	91.3406	-9.6719
59	3.4484	1.0401	-2.4149	6.6423	-3.5027	7.0232	1.0787	0.0982	1.0065	0.278	0.3562	0.0698	-0.5241	0.1104	0.6273	0.457	0.3384	0.2687	0.3717	0.2916	0.6181	126.7202	162.2466	23.4166
60	1.7283	-1.8572	1.4571	2.5036	-2.2373	2.0915	1.1513	1.5805	0.1253	-1.8809	-0.8497	-0.283	-0.1862	0.1504	0.5987	0.6197	1.1802	0.345	0.7364	0.0896	0.5451	126.9876	164.0402	10.8559
61	5.8577	-3.6702	1.6755	8.7497	-3.4579	4.0551	0.9723	0.3732	-1.2549	-0.9723	-0.1661	2.806	1.4218	-0.7505	-0.592	0.7683	0.0523	-0.161	0.4274	0.0204	0.8991	116.6606	160.7288	17.2459
62	5.2271	-1.9193	5.255	3.0078	-1.0359	5.7853	-0.3623	0.0586	1.6119	-0.6053	-0.2621	-1.2675	-0.919	0.4018	0.4881	0.5716	0.1012	0.1192	0.4215	-0.0251	0.74	118.2576	175.2201	19.309
63	8.1798	0.9801	1.0495	6.9596	-1.2101	5.8081	0.552	-0.1665	0.2147	0.3711	-0.5662	0.4911	-0.8793	0.2928	-0.0238	0.4701	0.2204	0.1208	0.4125	0.0238	0.4731	119.1006	169.9436	21.3911
64	6.4995	4.51	-3.8027	5.8756	1.0199	7.0758	0.5927	-0.4514	-0.5912	0.5986	-0.3751	-0.2009	0.151	0.0751	0.3137	0.3516	0.1946	0.0595	0.3834	-0.0103	0.1987	95.5074	146.4218	-8.1603
65	7.5055	0.6559	3.1063	5.373	-0.2378	5.5573	-0.0321	-0.0594	1.1802	0.056	-0.1008	0.4037	-0.7272	-0.8824	0.0577	0.4178	0.2057	0.0608	0.4231	-0.0208	0.3704	88.2518	153.2443	-15.9305
66	8.2216	1.3504	-0.4706	7.557	1.8825	4.0466	0.0804	0.5657	-0.0617	0.145	0.1045	0.0418	-0.1944	0.2308	-0.1482	0.3081	0.1198	0.0369	0.3309	0.0713	0.1955	98.7955	147.6889	-19.4246
67	5.9077	2.6349	-2.1498	7.6049	1.501	6.3724	0.1945	0.5262	-0.4786	-0.3839	-0.0773	0.2757	0.1929	-0.1756	-0.1139	0.3006	0.1364	-0.0261	0.3335	0.0273	0.2418	93.4509	142.3876	-19.9296
68	5.7737	0.1137	-1.0383	1.6302	-0.6149	1.979	-0.2123	1.3694	-1.2658	-0.2454	-0.1653	-0.4635	-0.0586	-0.0047	0.3305	0.1334	-0.2376	-0.0615	0.5463	-0.1936	0.5969	149.8153	124.8371	29.2937
69	6.3655	-0.0536	1.8846	5.9568	0.3504	1.5388	0.0731	-0.1362	-1.9541	0.3753	-0.0206	-0.8371	0.2641	0.0953	-0.0137	0.3018	-0.0349	-0.0179	0.3871	0.0349	0.9259	145.6056	115.0723	33.0516
70	3.3388	2.3211	-1.9027	9.4694	0.1619	4.956	-0.8279	1.6361	-0.2057	-1.0641	-0.9701	0.2395	-0.7033	0.3482	1.0655	0.69	0.3496	0.1395	0.9186	0.1993	0.6288	133.6982	128.0761	24.4881
71	8.6671	0.7867	-2.3332	9.9047	-0.2264	5.0648	-0.7398	1.8047	-1.4319	-0.7631	1.0547	-1.0319	0.3196	-0.277	0.0128	0.3205	-0.0632	0.0449	0.5697	-0.2504	0.7371	135.6993	117.3631	25.96
72	4.205	2.6796	-1.5514	8.673	-5.6551	7.003	0.7192	-0.9537	0.6775	1.8463	-1.2001	0.7898	-1.3602	-0.11	0.0827	0.3057	-0.2255	0.0783	0.4157	-0.2547	0.747	141.6491	127.549	38.9929

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	CHAIN A AND (RESSEQ 1039:1050)
2	X-RAY DIFFRACTION	2	CHAIN A AND (RESSEQ 1051:1071)
3	X-RAY DIFFRACTION	3	CHAIN A AND (RESSEQ 1072:1091)
4	X-RAY DIFFRACTION	4	CHAIN A AND (RESSEQ 1092:1104)
5	X-RAY DIFFRACTION	5	CHAIN A AND (RESSEQ 1105:1113)
6	X-RAY DIFFRACTION	6	CHAIN A AND (RESSEQ 1114:1126)
7	X-RAY DIFFRACTION	7	CHAIN B AND (RESSEQ 1038:1050)
8	X-RAY DIFFRACTION	8	CHAIN B AND (RESSEQ 1051:1071)
9	X-RAY DIFFRACTION	9	CHAIN B AND (RESSEQ 1072:1091)
10	X-RAY DIFFRACTION	10	CHAIN B AND (RESSEQ 1092:1096)
11	X-RAY DIFFRACTION	11	CHAIN B AND (RESSEQ 1097:1126)
12	X-RAY DIFFRACTION	12	CHAIN C AND (RESSEQ 1038:1050)
13	X-RAY DIFFRACTION	13	CHAIN C AND (RESSEQ 1051:1071)
14	X-RAY DIFFRACTION	14	CHAIN C AND (RESSEQ 1072:1096)
15	X-RAY DIFFRACTION	15	CHAIN C AND (RESSEQ 1097:1126)
16	X-RAY DIFFRACTION	16	CHAIN D AND (RESSEQ 1039:1071)
17	X-RAY DIFFRACTION	17	CHAIN D AND (RESSEQ 1072:1096)
18	X-RAY DIFFRACTION	18	CHAIN D AND (RESSEQ 1097:1126)
19	X-RAY DIFFRACTION	19	CHAIN E AND (RESSEQ 1040:1050)
20	X-RAY DIFFRACTION	20	CHAIN E AND (RESSEQ 1051:1060)
21	X-RAY DIFFRACTION	21	CHAIN E AND (RESSEQ 1061:1071)
22	X-RAY DIFFRACTION	22	CHAIN E AND (RESSEQ 1072:1104)
23	X-RAY DIFFRACTION	23	CHAIN E AND (RESSEQ 1105:1125)
24	X-RAY DIFFRACTION	24	CHAIN F AND (RESSEQ 1039:1050)
25	X-RAY DIFFRACTION	25	CHAIN F AND (RESSEQ 1051:1060)
26	X-RAY DIFFRACTION	26	CHAIN F AND (RESSEQ 1061:1071)
27	X-RAY DIFFRACTION	27	CHAIN F AND (RESSEQ 1072:1096)
28	X-RAY DIFFRACTION	28	CHAIN F AND (RESSEQ 1097:1118)
29	X-RAY DIFFRACTION	29	CHAIN F AND (RESSEQ 1119:1126)
30	X-RAY DIFFRACTION	30	CHAIN G AND (RESSEQ 1039:1086)
31	X-RAY DIFFRACTION	31	CHAIN G AND (RESSEQ 1087:1104)
32	X-RAY DIFFRACTION	32	CHAIN G AND (RESSEQ 1105:1126)
33	X-RAY DIFFRACTION	33	CHAIN H AND (RESSEQ 1039:1085)
34	X-RAY DIFFRACTION	34	CHAIN H AND (RESSEQ 1086:1126)
35	X-RAY DIFFRACTION	35	CHAIN I AND (RESSEQ 1038:1050)
36	X-RAY DIFFRACTION	36	CHAIN I AND (RESSEQ 1051:1060)
37	X-RAY DIFFRACTION	37	CHAIN I AND (RESSEQ 1061:1071)
38	X-RAY DIFFRACTION	38	CHAIN I AND (RESSEQ 1072:1096)
39	X-RAY DIFFRACTION	39	CHAIN I AND (RESSEQ 1097:1125)
40	X-RAY DIFFRACTION	40	CHAIN J AND (RESSEQ 1039:1050)
41	X-RAY DIFFRACTION	41	CHAIN J AND (RESSEQ 1051:1071)
42	X-RAY DIFFRACTION	42	CHAIN J AND (RESSEQ 1072:1096)
43	X-RAY DIFFRACTION	43	CHAIN J AND (RESSEQ 1097:1123)
44	X-RAY DIFFRACTION	44	CHAIN K AND (RESSEQ 1038:1050)
45	X-RAY DIFFRACTION	45	CHAIN K AND (RESSEQ 1051:1060)
46	X-RAY DIFFRACTION	46	CHAIN K AND (RESSEQ 1061:1071)
47	X-RAY DIFFRACTION	47	CHAIN K AND (RESSEQ 1072:1091)
48	X-RAY DIFFRACTION	48	CHAIN K AND (RESSEQ 1092:1104)
49	X-RAY DIFFRACTION	49	CHAIN K AND (RESSEQ 1105:1126)
50	X-RAY DIFFRACTION	50	CHAIN L AND (RESSEQ 1039:1045)
51	X-RAY DIFFRACTION	51	CHAIN L AND (RESSEQ 1046:1071)
52	X-RAY DIFFRACTION	52	CHAIN L AND (RESSEQ 1072:1090)
53	X-RAY DIFFRACTION	53	CHAIN L AND (RESSEQ 1092:1096)
54	X-RAY DIFFRACTION	54	CHAIN L AND (RESSEQ 1097:1126)
55	X-RAY DIFFRACTION	55	CHAIN M AND (RESSEQ 1038:1045)
56	X-RAY DIFFRACTION	56	CHAIN M AND (RESSEQ 1046:1071)
57	X-RAY DIFFRACTION	57	CHAIN M AND (RESSEQ 1072:1104)
58	X-RAY DIFFRACTION	58	CHAIN M AND (RESSEQ 1105:1125)
59	X-RAY DIFFRACTION	59	CHAIN N AND (RESSEQ 1039:1050)
60	X-RAY DIFFRACTION	60	CHAIN N AND (RESSEQ 1051:1060)
61	X-RAY DIFFRACTION	61	CHAIN N AND (RESSEQ 1061:1091)
62	X-RAY DIFFRACTION	62	CHAIN N AND (RESSEQ 1092:1104)
63	X-RAY DIFFRACTION	63	CHAIN N AND (RESSEQ 1105:1126)
64	X-RAY DIFFRACTION	64	CHAIN O AND (RESSEQ 1040:1050)
65	X-RAY DIFFRACTION	65	CHAIN O AND (RESSEQ 1051:1071)
66	X-RAY DIFFRACTION	66	CHAIN O AND (RESSEQ 1072:1096)
67	X-RAY DIFFRACTION	67	CHAIN O AND (RESSEQ 1097:1125)
68	X-RAY DIFFRACTION	68	CHAIN P AND (RESSEQ 1039:1050)
69	X-RAY DIFFRACTION	69	CHAIN P AND (RESSEQ 1051:1091)
70	X-RAY DIFFRACTION	70	CHAIN P AND (RESSEQ 1092:1096)
71	X-RAY DIFFRACTION	71	CHAIN P AND (RESSEQ 1097:1113)
72	X-RAY DIFFRACTION	72	CHAIN P AND (RESSEQ 1114:1126)