PDB-4gd9: Circular Permuted Streptavidin N49/G48

ID or keywords:

Entry

Database: PDB / ID: 4gd9

Title

Circular Permuted Streptavidin N49/G48

Components

Streptavidin

Keywords

Biotin-Binding Protein / biotin / circular permutation

Function / homology

Function and homology information

biotin binding / extracellular region
Similarity search - Function

Biological species

Streptomyces avidinii (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.5 Å

Authors

Le Trong, I. / Chu, V. / Xing, Y. / Lybrand, T.P. / Stayton, P.S. / Stenkamp, R.E.

Citation

Journal: Acta Crystallogr.,Sect.D / Year: 2013
Title: Structural consequences of cutting a binding loop: two circularly permuted variants of streptavidin.
Authors: Le Trong, I. / Chu, V. / Xing, Y. / Lybrand, T.P. / Stayton, P.S. / Stenkamp, R.E.

History

Deposition	Jul 31, 2012	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jun 5, 2013	Provider: repository / Type: Initial release
Revision 1.1	Aug 2, 2017	Group: Refinement description / Source and taxonomy / Category: entity_src_gen / software
Revision 1.2	Nov 15, 2017	Group: Refinement description / Structure summary / Category: audit_author / software / Item: _audit_author.name / _software.name
Revision 1.3	Sep 13, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ref_seq_dif / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4gd9.cif.gz	208.3 KB	Display	PDBx/mmCIF format
PDB format	pdb4gd9.ent.gz	169.4 KB	Display	PDB format
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Validation report

Summary document	4gd9_validation.pdf.gz	480.5 KB	Display	wwPDB validaton report
Full document	4gd9_full_validation.pdf.gz	484.8 KB	Display
Data in XML	4gd9_validation.xml.gz	24.2 KB	Display
Data in CIF	4gd9_validation.cif.gz	34.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/gd/4gd9 ftp://data.pdbj.org/pub/pdb/validation_reports/gd/4gd9	HTTPS FTP

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Related structure data

Related structure data	4gdaC 2qcbS 1swf S: Starting model for refinement C: citing same article (ref.)
Similar structure data	3ry2-1 2rtr-1 3re6-2 3hbf-d 3p1u-2 2rtp-1 2rtf-1 3d24-d 2izh-1 1swc-d Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#124 - Apr 2010 Concanavalin A and Circular Permutation similarity (1)

Deposited unit

A: Streptavidin

B: Streptavidin

C: Streptavidin

D: Streptavidin

hetero molecules

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

1

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	54.720, 85.890, 100.140
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

#1: Protein	Streptavidin Mass: 13670.770 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces avidinii (bacteria) / Production host: Escherichia coli (E. coli) / References: UniProt: P22629
#2: Chemical	ChemComp-BTN / BIOTIN Mass: 244.311 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₁₀H₁₆N₂O₃S
#3: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: SO₄
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 366 / Source method: isolated from a natural source / Formula: H₂O
Sequence details	Residues 13-49 have been renumbered to 213-249 to ensure sequential residue numbering of the peptide

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.15 Å³/Da / Density % sol: 42.84 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 1.0 M ammonium phosphate, 0.1 M Tris-chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

SSRL

/ Beamline: BL11-1 / Wavelength: 0.9794 Å

Detector

Type: PSI PILATUS 6M / Detector: PIXEL

Radiation

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

Radiation wavelength

Wavelength: 0.9794 Å / Relative weight: 1

Reflection

Resolution: 1.3→50 Å / Num. all: 83070 / Num. obs: 83070 / % possible obs: 100 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / R_merge(I) obs: 0.067 / Χ²: 1.115 / Net I/σ(I): 25.081

Reflection shell

Resolution (Å)	R_merge(I) obs	Num. unique all	Χ²	Diffraction-ID	% possible all
1.3-1.32	0.861	537	0.924	1	9.3
1.32-1.35	0.561	1351	0.941	1	23.5
1.35-1.37	0.586	1983	0.943	1	34.3
1.37-1.4	0.517	2396	0.97	1	41.6
1.4-1.43	0.516	2814	0.962	1	48.8
1.43-1.46	0.422	3222	1.029	1	55.9
1.46-1.5	0.336	3619	1.354	1	62.7
1.5-1.54	0.276	4232	0.96	1	73.3
1.54-1.59	0.235	4789	1.001	1	82.5
1.59-1.64	0.205	5324	1.046	1	92.3
1.64-1.7	0.168	5681	1.048	1	97.6
1.7-1.76	0.13	5667	1.051	1	97.8
1.76-1.84	0.143	5699	1.106	1	98.4
1.84-1.94	0.165	3876	1.276	1	66.6
1.94-2.06	0.121	5786	1.257	1	99
2.06-2.22	0.099	5808	1.19	1	99.4
2.22-2.45	0.083	4457	1.148	1	75.8
2.45-2.8	0.065	5840	1.092	1	98.8
2.8-3.53	0.055	5488	1.085	1	92.4
3.53-50	0.046	4501	0.964	1	72.2

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Processing

Software

Name	Version	Classification
DENZO		data reduction
SCALEPACK		data scaling
REFMAC	5.6.0117	refinement
PDB_EXTRACT	3.11	data extraction
Blu-Ice		data collection
BALBES		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 2QCB

2qcb

Resolution: 1.5→36.94 Å / Cor.coef. F_o:F_c: 0.947 / Cor.coef. F_o:F_c free: 0.935 / Occupancy max: 1 / Occupancy min: 0.45 / SU B: 2.483 / SU ML: 0.05 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.095 / ESU R Free: 0.094 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : WITH TLS ADDED

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2299	3343	5 %	RANDOM
R_work	0.2006	-	-	-
obs	0.2021	63726	100 %	-
all	-	63726	-	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK

Displacement parameters

B_iso max: 93.85 Å² / B_iso mean: 25.9489 Å² / B_iso min: 13.2 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.02 Å²	0 Å²	0 Å²
2-	-	0.14 Å²	0 Å²
3-	-	-	-0.12 Å²

Refinement step

Cycle: LAST / Resolution: 1.5→36.94 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3683	0	70	366	4119

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.013	0.02	3878
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	2405
X-RAY DIFFRACTION	r_angle_refined_deg	1.671	1.912	5300
X-RAY DIFFRACTION	r_angle_other_deg	1.983	3	5845
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.823	5	489
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	29.756	23.58	162
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	13.018	15	520
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	17.95	15	20
X-RAY DIFFRACTION	r_chiral_restr	0.124	0.2	591
X-RAY DIFFRACTION	r_gen_planes_refined	0.008	0.02	4448
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	876

LS refinement shell

Resolution: 1.5→1.539 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.229	183	-
R_work	0.207	3698	-
all	-	3881	-
obs	-	-	72.04 %

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	8.4516	-1.7792	1.3053	0.646	1.2686	9.0604	0.0476	-0.2363	0.2321	-0.0671	0.0797	-0.0937	-0.4008	0.1875	-0.1273	0.1413	-0.0296	-0.0541	0.1856	-0.006	0.1814	42.9706	-1.9729	34.1844
2	4.3452	1.6095	-0.3885	3.1667	-0.5482	0.9963	-0.0749	-0.0329	-0.1107	0.0206	0.0419	-0.1706	-0.0192	-0.0156	0.033	0.0798	-0.0008	-0.0064	0.1299	-0.0276	0.1016	40.7862	-6.7064	31.0137
3	5.2509	3.2928	-2.4287	7.5561	-4.5151	3.9533	-0.0079	-0.2097	-0.2826	0.1608	-0.0619	-0.1046	0.0707	0.0579	0.0697	0.0459	0.0121	0.0025	0.1143	-0.0338	0.0908	41.3087	-11.3296	28.1682
4	17.6898	-0.9526	-6.2402	27.2127	-8.1675	6.3276	-0.1144	-1.305	-0.2224	1.7225	-0.1497	-0.5525	0.395	0.6288	0.2642	0.6488	0.0516	-0.033	0.179	0.0027	0.1167	44.8635	-20.0898	30.5966
5	0.5788	0.1326	0.0973	3.3411	-0.206	0.5275	0.0444	-0.0358	0.0406	0.0842	-0.0779	-0.0728	-0.0176	0.0273	0.0335	0.0234	-0.0073	-0.0042	0.1256	-0.0059	0.1282	41.6851	-4.0358	23.7981
6	8.5929	-2.9117	3.4799	9.878	4.6	5.1662	0.0724	-0.3085	-0.6707	0.2826	0.2274	0.2088	0.2327	-0.034	-0.2998	0.035	-0.0178	0.0118	0.1611	0.0255	0.1951	39.1882	-24.0535	20.856
7	1.3903	0.5707	0.9179	7.4916	1.4271	0.9466	-0.0348	-0.0688	0.0875	0.0455	-0.0214	0.1187	-0.0399	-0.0172	0.0562	0.0085	-0.0178	0.0125	0.1143	-0.0073	0.1219	35.5284	-3.8977	24.6265
8	10.1434	-4.5762	2.7281	11.9431	16.0951	31.579	-0.0918	-0.6613	0.0293	0.3891	-0.0925	0.1331	0.1301	-0.8546	0.1843	0.4561	-0.0209	0.0511	0.2024	-0.0532	0.1531	34.097	3.6452	37.5322
9	0.7939	0.4682	0.3036	1.3622	1.0013	3.8689	-0.0123	0.024	-0.0785	0.015	0.0104	0.0786	-0.0095	-0.0262	0.0019	0.0068	0.0019	-0.0005	0.1203	-0.0069	0.1314	31.2759	-10.8774	20.6671
10	19.3996	-10.0561	-6.6334	12.0195	4.7196	6.9532	0.201	0.9422	-0.3469	-0.5199	-0.2977	0.0274	0.0325	-0.2594	0.0967	0.0956	-0.0065	-0.0207	0.2065	-0.0284	0.1553	24.857	-20.6903	8.0748
11	1.46	0.8246	2.0333	6.5276	5.9773	9.5453	0.0315	-0.0038	-0.0694	0.037	-0.0887	0.203	0.0669	-0.136	0.0572	0.0024	-0.0066	0.0117	0.115	-0.0029	0.1343	26.6323	-13.129	20.2922
12	17.6266	3.7298	7.1574	8.0549	4.9318	13.6284	-0.2293	-0.9446	0.0124	0.44	0.0496	-0.1319	-0.0002	0.1212	0.1797	0.1135	0.0161	0.0064	0.1435	-0.0073	0.1418	36.8566	-4.1189	36.0235
13	4.4673	-1.4039	0.3711	1.2345	-0.1916	1.8014	0.0668	0.128	-0.0296	-0.1276	0.0207	-0.0537	-0.02	0.0512	-0.0875	0.0695	-0.0125	0.0126	0.1414	-0.0218	0.1299	42.6566	-7.565	4.2404
14	2.6298	4.2062	-3.8457	13.7055	-3.3177	6.7771	-0.1211	-0.2632	-0.1931	-0.0102	-0.2008	-0.2938	0.2887	0.4754	0.3219	0.0245	0.0223	0.0194	0.1611	-0.0108	0.1664	48.334	-9.5228	13.0394
15	19.0582	-2.4637	4.1076	11.8745	-4.3614	6.0132	-0.2321	0.353	1.1164	0.1164	0.1478	-0.0681	-0.5228	-0.1472	0.0843	0.1824	-0.0079	0.0064	0.1148	-0.0098	0.1446	38.259	4.1332	6.2989
16	14.6686	1.5723	1.797	18.4486	-2.0706	18.732	0.2471	1.0128	0.8995	-1.7776	-0.1205	-0.3182	-0.804	0.3779	-0.1266	0.2489	0.0082	0.057	0.2179	0.0349	0.2036	45.3827	7.8345	6.7951
17	1.111	-0.4072	-0.1964	2.2866	-0.218	0.8603	0.0582	0.0683	-0.1056	-0.149	-0.0722	-0.0997	0.1521	0.0183	0.014	0.0477	0.0064	0.0046	0.1304	-0.015	0.1226	41.0445	-12.5351	13.0865
18	9.3427	1.0313	-4.9296	20.1527	-6.3497	13.6797	0.0285	0.1784	0.1053	-0.3194	-0.091	-0.1337	-0.4391	0.2978	0.0625	0.039	-0.021	0.011	0.1441	-0.0248	0.1608	45.4082	11.6034	13.3781
19	0.6998	0.0066	-0.2728	1.9603	0.6292	0.8398	-0.05	0.0486	-0.0073	-0.059	0.0112	0.1517	0.0305	0.0161	0.0387	0.0148	0.0065	-0.0033	0.118	-0.0099	0.12	36.9692	-5.5063	11.4492
20	7.9301	-6.951	-13.2721	6.3327	11.7426	22.2641	0.0714	0.8295	-0.2166	-0.2888	-0.478	0.2362	-0.1705	-1.2831	0.4066	0.3654	-0.162	-0.0657	0.3245	0.0039	0.1279	34.9798	-13.1429	1.0226
21	1.1923	-0.1336	0.126	2.8338	3.0719	5.7824	-0.0156	-0.0407	0.1387	0.0811	0.0182	0.0429	0.0091	-0.0369	-0.0026	0.0201	-0.0011	0.0052	0.1058	-0.001	0.1355	30.8457	0.6801	17.4418
22	17.4158	7.9344	2.9586	13.1029	4.8002	6.8705	0.0222	-0.7798	0.3671	0.4078	-0.2007	0.1254	0.0147	-0.195	0.1784	0.0577	0.0029	0.0231	0.1809	-0.0492	0.1726	24.2501	8.1704	27.4803
23	3.8201	-1.671	-2.7515	1.0873	1.6851	3.9704	0.1413	0.2105	0.1027	-0.1808	-0.0613	-0.0289	-0.149	-0.0903	-0.08	0.062	-0.0078	0.0077	0.0873	0.0072	0.1359	34.3358	-3.8552	7.2498
24	2.9066	-2.9014	-3.1762	11.5385	8.6978	7.0065	0.0503	-0.2556	-0.1695	0.3578	0.0257	-0.2751	0.2184	0.1284	-0.076	0.1414	-0.0218	0.0125	0.2528	0.0074	0.2267	45.0225	-17.5995	-1.9176
25	5.8189	-1.495	0.2242	0.4152	-0.4698	5.5518	0.0024	-0.0971	-0.3408	-0.013	0.0423	0.0922	0.3031	-0.0448	-0.0447	0.1301	0.0155	0.0267	0.1842	0.009	0.1821	4.1436	-9.3601	32.4526
26	9.7618	-2.6591	1.5012	2.163	-2.4436	7.6051	0.0043	-0.4865	0.3846	0.4223	0.0391	-0.0274	-0.4806	-0.1975	-0.0434	0.1972	0	0.0328	0.1587	-0.0512	0.1602	14.1709	2.445	32.8901
27	6.4129	6.4584	0.5436	14.1122	2.2176	2.155	-0.1085	-0.1077	0.0815	-0.3166	0.0061	0.1426	-0.1883	-0.2229	0.1024	0.1107	0.0236	0.0153	0.1771	0.0165	0.1293	2.4172	-6.3657	27.3941
28	3.8006	-1.3535	0.3555	1.9931	1.7537	2.6001	-0.1367	-0.0165	0.4711	-0.1223	-0.0505	0.1036	-0.4069	-0.0679	0.1872	0.1733	0.008	0.1064	0.163	-0.0102	0.2653	6.5274	1.7899	25.4887
29	1.0697	-0.5298	0.1972	1.8139	-0.3848	0.3784	-0.02	-0.0844	0.0044	0.2166	0.0448	0.1633	-0.0615	-0.0492	-0.0248	0.0602	0.0054	0.0173	0.1288	-0.0062	0.1316	7.2972	-6.8508	23.9616
30	7.9543	-4.3576	-3.1537	17.091	2.2232	4.4375	0.0571	-0.0558	0.3614	-0.3715	-0.0751	-0.1233	-0.1926	-0.1898	0.018	0.0469	0.0176	-0.0019	0.1275	-0.006	0.2094	4.1951	12.0135	17.774
31	1.3166	-0.2869	0.146	5.3006	-2.7984	2.4478	-0.036	-0.0765	0.0544	0.1911	-0.0116	-0.0638	-0.1001	-0.0218	0.0476	0.0317	-0.0063	0.0043	0.1099	-0.0193	0.1177	12.5386	-3.6962	22.8784
32	7.6588	-0.9134	-1.0925	11.1481	-10.3395	32.0524	-0.2597	-1.0031	0.0556	1.0879	-0.2942	-0.3881	0.4946	0.5062	0.5539	0.2887	-0.0283	0.0068	0.2472	0.0148	0.1475	13.6102	-9.6353	37.5992
33	1.303	0.8066	-0.9743	3.9249	-4.3268	8.7062	-0.0035	0.0309	0.1434	-0.0982	0.0366	-0.0081	0.1565	-0.0536	-0.0331	0.0115	-0.0024	-0.0017	0.1045	-0.0075	0.1397	18.3966	-0.3558	17.736
34	24.9863	-12.2879	6.755	7.1836	-8.1995	22.7617	0.2453	0.9497	0.2085	-0.2771	-0.4789	-0.1301	0.6275	0.3731	0.2337	0.2294	-0.0535	-0.0104	0.1793	0.0515	0.1467	25.2075	5.5598	5.0286
35	2.9507	1.5532	-3.8697	2.8948	-4.0721	12.259	-0.0085	-0.0205	0.0695	0.1267	-0.042	-0.0914	-0.0979	0.0379	0.0505	0.0214	-0.0017	-0.0043	0.0895	-0.0162	0.1451	22.052	0.6107	19.7362
36	2.6174	-2.4276	-0.3162	2.6025	0.412	8.5111	-0.079	-0.5503	-0.1467	0.3206	0.299	0.3997	-0.3613	-0.1679	-0.22	0.2997	-0.0719	0.1324	0.3026	-0.1378	0.2925	7.4869	-5.0094	36.5353
37	10.237	1.515	-0.7552	0.2748	0.4544	6.4632	0.0555	0.1436	0.3262	-0.033	0.0113	0.0526	-0.4013	-0.1078	-0.0669	0.1331	-0.0143	-0.0428	0.1668	0.0186	0.1637	6.3403	-5.355	0.9209
38	5.5493	-2.0913	-0.818	3.0691	1.0014	0.793	0.0096	0.1828	-0.1953	-0.0752	-0.073	0.1131	0.0021	-0.0177	0.0634	0.083	0.007	0.0081	0.1454	-0.003	0.1106	10.5866	-12.1872	3.9949
39	7.0804	0.1489	1.0435	11.9188	1.1498	6.0423	-0.1695	0.0737	0.4232	0.062	0.1414	0.6068	-0.4464	-0.2353	0.0281	0.0509	0.0109	-0.0189	0.1465	-0.0005	0.1667	0.5393	-0.8107	10.3528
40	17.2694	-7.6649	-4.5894	11.0172	5.6713	2.9603	-0.1361	-0.3062	-0.6376	-0.055	0.1276	0.0237	-0.0211	0.088	0.0085	0.0346	-0.0042	0.0077	0.1286	0.004	0.1419	10.5371	-17.9459	7.9407
41	18.4856	-11.2967	-3.7375	19.7532	-2.3197	4.6851	0.2457	1.2748	-0.7099	-1.691	-0.5354	1.0505	1.2894	-0.7247	0.2897	0.4659	-0.1276	0.0228	0.2556	-0.0899	0.2092	4.1122	-22.4655	8.4025
42	1.2403	0.2646	-0.1623	3.4555	-0.3616	0.8106	-0.0234	0.1244	0.1698	-0.2618	0.0256	0.1208	-0.0932	-0.0108	-0.0023	0.0606	0.0064	-0.0198	0.13	0.0016	0.1469	8.72	-1.4409	10.2524
43	12.6198	4.5016	2.6522	20.668	-0.9654	17.3849	0.1342	0.2613	-0.5594	0.0805	-0.0998	0.3126	0.8743	-0.1853	-0.0345	0.0698	-0.0182	-0.0203	0.1345	0.0047	0.1934	4.3811	-25.0125	15.7751
44	1.285	0.7612	-0.1482	4.9225	-2.0883	1.6002	0.0099	0.0074	-0.0072	-0.0436	-0.0557	-0.0027	-0.0181	-0.0099	0.0458	0.0198	0.0137	0.0005	0.106	-0.005	0.1158	12.9932	-10.6215	13.8007
45	13.5171	8.9009	-0.6962	8.0682	-2.913	41.2742	-0.4894	1.2264	-0.2865	-1.2699	0.5029	-0.2962	-0.565	0.9074	-0.0134	0.7225	0.0019	-0.0025	0.3081	0.0492	0.136	15.0072	-1.3949	-3.8896
46	1.1922	-0.0979	0.5355	2.005	-2.3199	6.3752	-0.0488	0.0081	-0.0351	0.0077	0.0311	-0.0813	-0.0433	-0.0136	0.0177	0.0144	0.0059	0.0051	0.0917	-0.0133	0.1299	18.0354	-11.4066	16.0164
47	2.1507	-0.6457	2.6707	2.6604	-3.6105	10.7839	0.0134	-0.1249	-0.1004	0.1092	-0.0902	-0.0768	-0.0786	0.1554	0.0769	0.0077	0.0034	0.0063	0.1164	-0.0107	0.151	22.9983	-14.9081	21.2437
48	13.5519	-5.6936	4.9195	3.3485	-1.5962	11.7374	0.3535	0.9364	-0.4791	-0.6684	0.0135	0.4611	-0.4013	0.0935	-0.367	0.3384	-0.1599	-0.0997	0.2863	0.0897	0.2059	9.8695	-8.4443	-2.9266

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	214 - 222
2	X-RAY DIFFRACTION	2	A	223 - 236
3	X-RAY DIFFRACTION	3	A	237 - 248
4	X-RAY DIFFRACTION	4	A	49 - 54
5	X-RAY DIFFRACTION	5	A	55 - 83
6	X-RAY DIFFRACTION	6	A	84 - 88
7	X-RAY DIFFRACTION	7	A	89 - 96
8	X-RAY DIFFRACTION	8	A	97 - 103
9	X-RAY DIFFRACTION	9	A	104 - 115
10	X-RAY DIFFRACTION	10	A	116 - 120
11	X-RAY DIFFRACTION	11	A	121 - 128
12	X-RAY DIFFRACTION	12	A	129 - 133
13	X-RAY DIFFRACTION	13	B	213 - 235
14	X-RAY DIFFRACTION	14	B	236 - 242
15	X-RAY DIFFRACTION	15	B	243 - 248
16	X-RAY DIFFRACTION	16	B	49 - 54
17	X-RAY DIFFRACTION	17	B	55 - 79
18	X-RAY DIFFRACTION	18	B	80 - 84
19	X-RAY DIFFRACTION	19	B	85 - 100
20	X-RAY DIFFRACTION	20	B	101 - 105
21	X-RAY DIFFRACTION	21	B	106 - 115
22	X-RAY DIFFRACTION	22	B	116 - 120
23	X-RAY DIFFRACTION	23	B	121 - 135
24	X-RAY DIFFRACTION	24	B	136 - 143
25	X-RAY DIFFRACTION	25	C	213 - 221
26	X-RAY DIFFRACTION	26	C	222 - 227
27	X-RAY DIFFRACTION	27	C	228 - 236
28	X-RAY DIFFRACTION	28	C	237 - 248
29	X-RAY DIFFRACTION	29	C	50 - 79
30	X-RAY DIFFRACTION	30	C	80 - 84
31	X-RAY DIFFRACTION	31	C	85 - 99
32	X-RAY DIFFRACTION	32	C	100 - 104
33	X-RAY DIFFRACTION	33	C	105 - 115
34	X-RAY DIFFRACTION	34	C	116 - 120
35	X-RAY DIFFRACTION	35	C	121 - 129
36	X-RAY DIFFRACTION	36	C	130 - 143
37	X-RAY DIFFRACTION	37	D	213 - 222
38	X-RAY DIFFRACTION	38	D	223 - 233
39	X-RAY DIFFRACTION	39	D	234 - 240
40	X-RAY DIFFRACTION	40	D	241 - 248
41	X-RAY DIFFRACTION	41	D	49 - 54
42	X-RAY DIFFRACTION	42	D	55 - 79
43	X-RAY DIFFRACTION	43	D	80 - 84
44	X-RAY DIFFRACTION	44	D	85 - 96
45	X-RAY DIFFRACTION	45	D	97 - 103
46	X-RAY DIFFRACTION	46	D	104 - 115
47	X-RAY DIFFRACTION	47	D	116 - 129
48	X-RAY DIFFRACTION	48	D	130 - 134

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