PDB-2w7n: Crystal Structure of KorA Bound to Operator DNA: Insight into Rep...

ID or keywords:

Entry

Database: PDB / ID: 2w7n

Title

Crystal Structure of KorA Bound to Operator DNA: Insight into Repressor Cooperation in RP4 Gene Regulation

Components

5'-D(*AP*AP*TP*GP*TP*TP*TP*AP*GP*CP *TP*AP*AP*AP*CP*AP*AP*G)-3'
5'-D(*CP*BRUP*BRUP*GP*TP*TP*TP*AP*GP*CP*TP*AP *AP*AP*CP*AP*BRUP*T)-3'
TRFB TRANSCRIPTIONAL REPRESSOR PROTEIN

Keywords

TRANSCRIPTION/DNA / INCP / PLASMID / REPRESSOR / DNA-BINDING / PROTEIN-DNA COMPLEX / TRANSCRIPTION FACTOR / HELIX-TURN-HELIX MOTIF / TRANSCRIPTION REGULATION / TRANSCRIPTION-DNA complex

Function / homology

Function and homology information

Arc Repressor Mutant, subunit A - #2690 / TrfB transcriptional repressor protein / TrfB plasmid transcriptional repressor / : / Arc Repressor Mutant, subunit A / Orthogonal Bundle / Mainly Alpha
Similarity search - Domain/homology

Biological species

ESCHERICHIA COLI (E. coli)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MAD / Resolution: 1.85 Å

Authors

Koenig, B. / Mueller, J.J. / Lanka, E. / Heinemann, U.

Citation

Journal: Nucleic Acids Res. / Year: 2009
Title: Crystal Structure of Kora Bound to Operator DNA: Insight Into Repressor Cooperation in Rp4 Gene Regulation
Authors: Koenig, B. / Mueller, J.J. / Lanka, E. / Heinemann, U.

History

Deposition	Dec 23, 2008	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Feb 17, 2009	Provider: repository / Type: Initial release
Revision 1.1	May 8, 2011	Group: Version format compliance
Revision 1.2	Jul 13, 2011	Group: Version format compliance
Revision 1.3	Jan 30, 2019	Group: Data collection / Experimental preparation / Other Category: exptl_crystal_grow / pdbx_database_proc ...exptl_crystal_grow / pdbx_database_proc / pdbx_database_status / pdbx_seq_map_depositor_info Item: _exptl_crystal_grow.method / _pdbx_database_status.recvd_author_approval / _pdbx_seq_map_depositor_info.one_letter_code_mod
Revision 1.4	May 22, 2019	Group: Data collection / Derived calculations / Experimental preparation Category: exptl_crystal_grow / pdbx_seq_map_depositor_info / struct_conn Item: _exptl_crystal_grow.temp / _pdbx_seq_map_depositor_info.one_letter_code_mod / _struct_conn.pdbx_leaving_atom_flag
Revision 1.5	May 8, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / struct_ncs_dom_lim / struct_sheet Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id / _struct_sheet.number_strands

Remark 650

HELIX DETERMINATION METHOD: AUTHOR PROVIDED.

Remark 700

SHEET DETERMINATION METHOD: AUTHOR PROVIDED.

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	2w7n.cif.gz	173 KB	Display	PDBx/mmCIF format
PDB format	pdb2w7n.ent.gz	138.7 KB	Display	PDB format
PDBx/mmJSON format	2w7n.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/w7/2w7n ftp://data.pdbj.org/pub/pdb/validation_reports/w7/2w7n	HTTPS FTP

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Related structure data

Similar structure data	5clv-1 4f3q-d 5cm3-d 1k89-d 6jr3-d 4zpa-d 4f50-d 2w8v-d Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
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PDB pages

PDBj /

wwPDB /

NCBI

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Deposited unit

A: TRFB TRANSCRIPTIONAL REPRESSOR PROTEIN

B: TRFB TRANSCRIPTIONAL REPRESSOR PROTEIN

E: 5'-D(*AP*AP*TP*GP*TP*TP*TP*AP*GP*CP *TP*AP*AP*AP*CP*AP*AP*G)-3'

F: 5'-D(*CP*BRUP*BRUP*GP*TP*TP*TP*AP*GP*CP*TP*AP *AP*AP*CP*AP*BRUP*T)-3'

G: 5'-D(*AP*AP*TP*GP*TP*TP*TP*AP*GP*CP *TP*AP*AP*AP*CP*AP*AP*G)-3'

H: 5'-D(*CP*BRUP*BRUP*GP*TP*TP*TP*AP*GP*CP*TP*AP *AP*AP*CP*AP*BRUP*T)-3'

45.1 kDa, 6 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)	44.830, 115.450, 49.880
Angle α, β, γ (deg.)	90.00, 114.00, 90.00
Int Tables number	4
Space group name H-M	P12₁1

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details (eV)
1	1	A
2	1	B

NCS domain segments:

Component-ID: 1 / Ens-ID: 1 / Beg auth comp-ID: LYS / Beg label comp-ID: LYS / End auth comp-ID: LYS / End label comp-ID: LYS / Refine code: 6 / Auth seq-ID: 3 - 95 / Label seq-ID: 3 - 95

Dom-ID	Auth asym-ID	Label asym-ID
1	A	A
2	B	B

NCS oper: (Code: given
Matrix: (-0.2408, 0.1716, 0.9553), (0.179, -0.9595, 0.2175), (0.9539, 0.2234, 0.2004)
Vector: -76.88, 65.43, 48.02)

#1: Protein	TRFB TRANSCRIPTIONAL REPRESSOR PROTEIN / TRANSCRIPTIONAL REPRESSOR PROTEIN KORA / REGULATORY PROTEIN KORA Mass: 11323.908 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ESCHERICHIA COLI (E. coli) / Plasmid: PMS51-1 / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P03052
#2: DNA chain	5'-D(APAPTPGPTPTPTPAPGPCP TPAPAPAPCPAPAPG)-3' / KORA OPERATOR Mass: 5547.642 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) ESCHERICHIA COLI (E. coli)
#3: DNA chain	5'-D(CPBRUPBRUPGPTPTPTPAPGPCPTPAP APAPCPAPBRUPT)-3' / KORA OPERATOR Mass: 5675.186 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) ESCHERICHIA COLI (E. coli)
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 317 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 3.6 Å³/Da / Density % sol: 65 % / Description: NONE
Crystal grow	Temperature: 291 K / Method: vapor diffusion, hanging drop Details: 0.5M (NH4)2SO4, 0.1M C6H5NA3O7 2H2O (PH 5.6), 1.0M LI2SO4 H2O, VAPOR DIFFUSION, HANGING DROP, 291 K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: BESSY / Beamline: 14.1 / Wavelength: 0.91991
Detector	Type: MARRESEARCH / Detector: CCD / Date: Oct 27, 2006 / Details: MIRRORS
Radiation	Monochromator: DOUBLE CRYSTAL / Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.91991 Å / Relative weight: 1
Reflection	Resolution: 1.96→50 Å / Num. obs: 31085 / % possible obs: 93.3 % / Observed criterion σ(I): 0 / Redundancy: 7.4 % / R_merge(I) obs: 0.03 / Net I/σ(I): 42.5
Reflection shell	Resolution: 1.96→2.08 Å / Redundancy: 5.3 % / R_merge(I) obs: 0.07 / Mean I/σ(I) obs: 17.4 / % possible all: 70.1

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0019	refinement
XDS		data reduction
XDS		data scaling
XDS		phasing

Refinement

Method to determine structure:

MAD
Starting model: NONE

Resolution: 1.85→57.74 Å / Cor.coef. F_o:F_c: 0.958 / Cor.coef. F_o:F_c free: 0.944 / SU B: 4.935 / SU ML: 0.083 / Cross valid method: THROUGHOUT / ESU R: 0.137 / ESU R Free: 0.125 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.201	1753	5.1 %	RANDOM
R_work	0.17	-	-	-
obs	0.172	32666	87.2 %	-

Solvent computation

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

Displacement parameters

B_iso mean: 28.79 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-1 Å²	0 Å²	-0.18 Å²
2-	-	2.52 Å²	0 Å²
3-	-	-	-1.67 Å²

Refinement step

Cycle: LAST / Resolution: 1.85→57.74 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	1479	1464	0	317	3260

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.006	0.022	3163
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	1704
X-RAY DIFFRACTION	r_angle_refined_deg	1.522	2.525	4543
X-RAY DIFFRACTION	r_angle_other_deg	0.905	3.005	4138
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	4.669	5	187
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	37.705	24.4	75
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	11.336	15	271
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	19.636	15	12
X-RAY DIFFRACTION	r_chiral_restr	0.136	0.2	514
X-RAY DIFFRACTION	r_gen_planes_refined	0.004	0.02	2449
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	421
X-RAY DIFFRACTION	r_nbd_refined	0.199	0.2	355
X-RAY DIFFRACTION	r_nbd_other	0.173	0.2	1114
X-RAY DIFFRACTION	r_nbtor_refined	0.21	0.2	1227
X-RAY DIFFRACTION	r_nbtor_other	0.081	0.2	754
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.14	0.2	281
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.263	0.2	6
X-RAY DIFFRACTION	r_symmetry_vdw_other	0.314	0.2	22
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.112	0.2	7
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_symmetry_metal_ion_refined
X-RAY DIFFRACTION	r_symmetry_metal_ion_other
X-RAY DIFFRACTION	r_mcbond_it	1.232	2	1233
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	1.577	3	1504
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it	2.451	5	3102
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it	2.841	6	3039
X-RAY DIFFRACTION	r_scangle_other
X-RAY DIFFRACTION	r_long_range_B_refined
X-RAY DIFFRACTION	r_long_range_B_other
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Ens-ID: 1 / Number: 1218 / Refine-ID: X-RAY DIFFRACTION

Dom-ID	Auth asym-ID	Type	Rms dev position (Å)	Weight position
1	A	loose positional	1.08	5
2	B	loose positional	1.08	5
1	A	loose thermal	1.12	10
2	B	loose thermal	1.12	10

LS refinement shell

Resolution: 1.85→1.9 Å / Total num. of bins used: 20 /

	R_factor	Num. reflection
R_free	0.208	69
R_work	0.174	1272

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	13.0972	-0.0132	0.8029	13.3036	-0.5508	8.4329	-0.3286	-0.3366	0.929	0.3381	0.3038	0.3073	-0.9163	0.2714	0.0248	-0.0782	-0.0422	-0.0239	0.0398	0.0093	-0.0367	0.2089	50.7159	40.5742
2	15.8328	7.4378	-3.0571	15.0959	-4.3053	8.7186	-0.2283	-0.0669	-0.8632	0.1119	0.1557	-0.6579	0.3579	0.6047	0.0727	-0.1007	0.0518	0.0185	-0.0111	-0.0066	-0.1282	0.3067	38.0062	41.0913
3	8.5874	0.4615	4.516	23.007	-4.8093	4.6889	-0.1244	0.677	-0.4203	-1.4051	0.0265	-0.463	0.6755	0.721	0.0979	-0.042	0.0195	0.0256	-0.062	-0.0155	-0.1521	-8.3215	38.6257	34.6952
4	11.491	-0.7621	1.4289	3.4702	-2.0992	1.3526	-0.0212	0.7662	0.4266	-0.5275	-0.0501	-0.2212	-0.2645	0.4239	0.0713	-0.0806	-0.0301	-0.0089	-0.0593	0.0255	-0.1421	-7.1869	49.7587	34.8152
5	3.0789	-0.8062	1.4393	2.0972	-0.6653	5.8625	-0.0312	0.1326	0.1429	-0.0891	-0.0004	0.1585	-0.2397	-0.1134	0.0316	-0.1397	0.0019	-0.0358	-0.1747	0	-0.1419	-16.8355	46.9017	37.0258
6	26.679	-3.8976	11.7431	1.4321	1.1829	14.9075	-0.3343	-0.62	0.4232	0.0051	-0.0266	-0.0587	-0.3736	0.2824	0.3608	-0.1192	-0.0026	-0.0278	-0.0888	0.0161	-0.1663	-5.0418	44.1567	46.3331
7	21.3197	5.6682	21.6727	6.3298	4.6	25.3708	0.151	0.7934	-0.5559	0.0479	-0.0796	0.0427	0.1023	0.453	-0.0714	-0.1444	0.0389	-0.0108	0.0632	0.0107	-0.1046	4.6122	42.7473	53.2289
8	14.8602	3.7532	-9.751	1.3924	-3.3556	8.9264	-0.0299	0.4162	-0.0337	-0.0717	-0.0087	0.1501	-0.1302	-0.6308	0.0386	-0.1622	0.0229	-0.008	0.072	-0.0299	-0.0919	-2.7692	39.7879	67.0843
9	15.4433	4.153	-2.7179	12.1736	-5.5178	11.751	-0.1415	-0.4045	0.9527	0.4137	0.1041	0.8954	-0.9688	-0.9479	0.0374	-0.0974	0.1148	-0.0322	0.0581	-0.0631	-0.071	-3.8131	46.5719	73.8142
10	21.7566	19.959	3.8679	59.477	17.7631	5.5959	-0.1881	0.7716	2.0142	-2.1847	-0.2387	0.9287	-1.0863	-1.3087	0.4268	0.2029	0.1492	-0.1037	0.1884	0.1305	0.1158	-1.0098	52.9843	65.38
11	6.009	-0.2139	2.0676	17.4855	-2.537	6.7426	-0.2477	-0.5107	-0.625	0.3316	0.4907	-0.5725	0.3337	-0.1831	-0.243	-0.0925	0.054	0.0057	0.0459	0.0426	-0.0859	-29.3655	28.7807	69.2422
12	8.3739	4.9247	-4.8563	23.1692	-16.299	26.1518	-0.1083	-0.3298	0.4687	1.0034	0.0711	-0.2876	-1.0785	0.252	0.0372	-0.142	0.04	-0.0294	-0.0191	-0.0962	-0.098	-27.584	40.2318	64.8545
13	2.0207	-0.2033	-2.851	9.0514	-1.4201	4.3449	-0.0716	0.0324	-0.1384	-0.0225	-0.0942	0.2199	0.1856	-0.5925	0.1658	-0.1704	-0.0187	-0.0167	-0.0575	-0.0067	-0.12	-33.7638	33.0263	58.8504
14	0.0134	-0.1474	-0.3696	3.58	1.4722	13.6396	-0.1127	-0.3143	-0.6642	0.0992	0.1881	0.4319	0.5181	-0.6966	-0.0754	-0.046	-0.0347	0.0724	-0.1001	0.0531	0.0393	-32.0831	22.2902	59.8829
15	4.415	0.8682	-0.3567	1.8987	0.7787	7.8954	-0.1628	0.2348	-0.3101	-0.1583	0.1088	0.2538	0.301	-0.2972	0.0539	-0.0776	-0.0303	0.0057	-0.174	-0.0353	-0.0612	-29.423	26.2491	50.7052
16	8.8198	2.3198	9.5664	0.8714	3.65	15.2976	0.0015	-0.4669	-0.3279	0.0503	0.1481	-0.2077	0.0365	0.1866	-0.1496	-0.1196	0.0328	-0.007	-0.0776	-0.0178	-0.0717	-21.4738	32.8387	65.6026
17	26.5443	11.7523	-25.4498	5.2991	-11.8832	28.3531	-0.2283	0.4497	0.0883	-0.2042	0.4371	-0.3179	0.7054	-0.0808	-0.2088	-0.11	0.0459	0.0122	0.1491	-0.0291	-0.0424	-11.6017	38.2142	72.3138
18	6.3468	1.0751	-5.6331	2.4893	-1.2563	9.5665	-0.272	-0.0275	-0.4446	-0.032	-0.0192	-0.186	0.3015	-0.0812	0.2912	-0.1784	0.0173	-0.0114	-0.0474	-0.0261	-0.1487	4.8705	39.2848	68.1926
19	16.0797	-2.1205	0.4615	17.0228	-5.4013	9.1564	-0.4036	-0.0429	-1.5347	0.0197	0.5489	-0.2626	0.9709	-0.0027	-0.1453	-0.0732	0	0.0724	-0.0326	0.0156	0.0212	-0.3175	34.5067	75.1609
20	44.9929	-8.075	25.4049	22.1572	-25.3043	35.1265	0.2282	-0.7861	-2.8575	-0.4965	0.6568	0.6135	2.4997	-0.6758	-0.8851	0.2007	-0.0469	0.0123	0.3421	0.1758	0.4683	-6.9467	29.5027	78.9776
21	3.3432	-2.4035	0.0512	2.4528	2.9024	11.9187	-0.2	0.505	-0.1789	-0.1935	-0.2366	0.9366	0.9267	0.1581	0.4366	0.0406	-0.0261	0.0302	-0.2576	-0.0182	0.0389	-25.2912	14.381	49.3155
22	12.8129	6.5797	-4.0322	9.1809	-7.255	5.9014	-0.0612	-1.2676	-0.5923	0.0515	-0.5728	-0.5723	-0.0317	0.5451	0.6341	-0.0913	0.0158	0.0853	-0.0534	-0.0635	-0.2213	-15.5047	28.3583	49.2255
23	2.7541	-0.3838	-1.0238	5.218	2.6963	6.4369	0.0812	-0.2586	0.0982	-0.1958	-0.0962	0.7193	-0.2371	-0.5332	0.015	-0.1674	-0.0349	-0.0034	-0.1353	0.0311	-0.0643	-24.0022	43.8223	44.038
24	6.3031	0.876	3.013	0.1444	-0.1314	14.8059	0.6453	-0.531	0.2929	0.4416	-0.3945	0.4244	-0.9848	-0.1638	-0.2508	0.1467	0.0203	0.0666	-0.2344	-0.0659	0.0285	-18.9512	59.1074	48.2447
25	3.7736	-5.0603	-5.8581	6.7859	7.8557	9.0942	0.3557	0.9203	0.5283	-1.1151	-0.5942	1.0957	-1.816	-0.3263	0.2385	0.1324	0.0495	0.0208	-0.1738	0.0699	0.3905	-19.9731	59.0371	39.576
26	4.8452	6.137	-1.6596	8.2337	-2.169	0.5782	-0.0743	-0.2127	-0.0471	-0.0544	0.1169	-0.0152	-0.1524	0.0207	-0.0427	-0.1749	-0.0063	-0.0181	-0.2047	-0.0478	-0.0734	-21.2728	44.6014	50.7167
27	8.5993	-7.1959	-4.3592	10.3826	5.3408	2.8671	0.353	0.7461	0.0611	-0.6659	-0.4353	-0.4185	0.2818	-0.4448	0.0822	0.0404	-0.0181	0.0489	-0.0888	0.0159	-0.1167	-21.1636	27.6576	42.8018
28	11.7006	-0.3012	7.4201	0.0078	-0.191	4.7055	1.4832	-1.0391	-1.3733	-0.332	-1.4571	-0.663	2.372	1.6214	-0.0261	0.4525	-0.0747	0.0439	0.1586	0.0646	0.1818	-15.6156	15.0828	50.8412
29	9.2689	-1.4936	6.6776	13.9604	-0.8881	13.3702	0.3902	-0.2737	0.4749	-0.544	-0.2963	0.6579	-0.4613	-0.2306	-0.0939	-0.0158	0.0162	-0.0291	-0.1162	-0.032	-0.1676	-19.7872	59.0857	39.4882
30	4.6337	2.0254	-0.4623	6.1628	-3.3958	2.3817	0.3271	-0.2016	0.5096	0.1392	-0.4408	0.1054	-0.0267	0.3462	0.1137	-0.143	0.0477	0.0125	-0.137	0.0228	-0.1417	-19.6013	46.2303	50.8677
31	1.9252	1.0607	0.1714	1.4135	-2.727	9.6162	0.286	0.3171	-0.2717	-0.4007	-0.1697	-0.1864	0.2501	0.1396	-0.1164	-0.0577	-0.0018	-0.0102	-0.1865	-0.0569	-0.11	-22.1686	29.7577	43.7736
32	14.7769	15.0652	-9.1152	23.0662	-14.2795	24.1283	0.9254	-0.1679	0.0615	0.5022	-0.5228	-0.3298	0.0582	0.0542	-0.4026	0.1127	0.109	0.0969	-0.21	-0.088	0.1308	-15.8776	14.8085	50.6737
33	6.4058	-3.0479	-3.0691	1.4502	1.4603	1.4704	0.6973	-0.0253	-0.5204	-1.0012	-0.4839	0.3493	0.4177	-1.1332	-0.2134	0.2128	-0.0629	-0.0199	0.0057	-0.0702	0.2281	-24.7675	14.6298	49.2229
34	0.5174	1.588	-2.7279	6.8203	-8.6929	14.4344	0.1737	0.2936	-0.1992	-0.1392	0.0235	0.4005	0.0888	0.1422	-0.1972	-0.1017	-0.0235	-0.0635	-0.1798	0.0703	0.0669	-15.841	30.0088	47.5558
35	3.0569	2.1786	-1.2814	1.5805	-1.394	8.8281	0.0617	0.5206	0.0509	-0.029	-0.3909	1.1018	-0.4365	-1.0883	0.3292	-0.0787	0.0449	-0.0365	-0.0883	-0.0431	0.011	-25.7566	45.606	44.4349
36	3.5423	-2.6306	-4.2512	3.6916	0.622	8.7991	0.2044	-0.6087	1.0443	0.9786	-0.4081	-0.0884	-1.1841	0.6621	0.2037	0.1523	-0.0594	-0.0586	0.0137	0.0291	0.0128	-18.7904	59.0703	48.6872

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	2 - 9
2	X-RAY DIFFRACTION	2	A	10 - 18
3	X-RAY DIFFRACTION	3	A	19 - 25
4	X-RAY DIFFRACTION	4	A	26 - 39
5	X-RAY DIFFRACTION	5	A	40 - 55
6	X-RAY DIFFRACTION	6	A	56 - 63
7	X-RAY DIFFRACTION	7	A	64 - 69
8	X-RAY DIFFRACTION	8	A	70 - 80
9	X-RAY DIFFRACTION	9	A	81 - 89
10	X-RAY DIFFRACTION	10	A	90 - 95
11	X-RAY DIFFRACTION	11	B	3 - 12
12	X-RAY DIFFRACTION	12	B	13 - 18
13	X-RAY DIFFRACTION	13	B	19 - 28
14	X-RAY DIFFRACTION	14	B	29 - 39
15	X-RAY DIFFRACTION	15	B	40 - 55
16	X-RAY DIFFRACTION	16	B	56 - 67
17	X-RAY DIFFRACTION	17	B	68 - 76
18	X-RAY DIFFRACTION	18	B	77 - 87
19	X-RAY DIFFRACTION	19	B	88 - 92
20	X-RAY DIFFRACTION	20	B	93 - 97
21	X-RAY DIFFRACTION	21	E	1 - 4
22	X-RAY DIFFRACTION	22	E	5 - 8
23	X-RAY DIFFRACTION	23	E	9 - 14
24	X-RAY DIFFRACTION	24	E	15 - 18
25	X-RAY DIFFRACTION	25	F	1 - 4
26	X-RAY DIFFRACTION	26	F	5 - 9
27	X-RAY DIFFRACTION	27	F	10 - 14
28	X-RAY DIFFRACTION	28	F	15 - 18
29	X-RAY DIFFRACTION	29	G	1 - 4
30	X-RAY DIFFRACTION	30	G	5 - 8
31	X-RAY DIFFRACTION	31	G	9 - 14
32	X-RAY DIFFRACTION	32	G	15 - 18
33	X-RAY DIFFRACTION	33	H	1 - 4
34	X-RAY DIFFRACTION	34	H	5 - 9
35	X-RAY DIFFRACTION	35	H	10 - 14
36	X-RAY DIFFRACTION	36	H	15 - 18

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