PDB-2wd0: CRYSTAL STRUCTURE OF NONSYNDROMIC DEAFNESS (DFNB12) ASSOCIATED MU...

ID or keywords:

Entry

Database: PDB / ID: 2wd0

Title

CRYSTAL STRUCTURE OF NONSYNDROMIC DEAFNESS (DFNB12) ASSOCIATED MUTANT D124G OF MOUSE CADHERIN-23 EC1-2

Components

CADHERIN-23

Keywords

CELL ADHESION /

HEARING

Function / homology

Function and homology information

cochlear hair cell ribbon synapse /

kinocilium /

equilibrioception / sensory perception of light stimulus / stereocilium tip / inner ear receptor cell stereocilium organization / inner ear auditory receptor cell differentiation / cell-cell adhesion via plasma-membrane adhesion molecules / photoreceptor ribbon synapse / stereocilium ...
Similarity search - Function

Biological species

MUS MUSCULUS (house mouse)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.74 Å

Authors

Sotomayor, M. / Weihofen, W. / Gaudet, R. / Corey, D.P.

Citation

Journal: Neuron / Year: 2010
Title: Structural Determinants of Cadherin-23 Function in Hearing and Deafness.
Authors: Sotomayor, M. / Weihofen, W. / Gaudet, R. / Corey, D.P.

History

Deposition	Mar 18, 2009	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Apr 21, 2010	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Version format compliance
Revision 1.2	Dec 13, 2023	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 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_ncs_dom_lim / struct_site 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 / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _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_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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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/wd/2wd0 ftp://data.pdbj.org/pub/pdb/validation_reports/wd/2wd0	HTTPS FTP

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Related structure data

Related structure data	2wbxC 2wcpSC 2whvC C: citing same article (ref.) S: Starting model for refinement
Similar structure data	2wcp-d 2whv-d 4hlj-d 5czr-2 5vh2-1 5czr-3 5czr-4 5vh2-3 6bwn-d 5vt8-3 5tfl-1 5czr-1 5vh2-2 6n22-d 2gbo-d 4uy3-d Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

Related structure data

2wbxC

2wcpSC

2whvC

C: citing same article (ref.)

S: Starting model for refinement

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#99 - Mar 2008 Cadherin similarity (8)

Deposited unit

A: CADHERIN-23

C: CADHERIN-23

hetero molecules

48 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: CADHERIN-23

hetero molecules

defined by author&software
24 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: CADHERIN-23

hetero molecules

defined by author&software
24 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	179.693, 179.693, 63.982
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	94
Space group name H-M	P4₂2₁2

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	C
1	2	A
2	2	C

NCS domain segments:

Component-ID: 1 / Refine code: 6

Dom-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	LEU	LEU	VAL	VAL	A	A	6 - 100	6 - 100
2	1	LEU	LEU	VAL	VAL	C	B	6 - 100	6 - 100
1	2	ASP	ASP	THR	THR	A	A	105 - 205	105 - 205
2	2	ASP	ASP	THR	THR	C	B	105 - 205	105 - 205

NCS ensembles :

ID
1
2

NCS oper:

ID	Code	Matrix	Vector
1	given	(-0.99091, -0.13448, 0.00182), (-0.13408, 0.98675, -0.09139), (0.0105, -0.09081, -0.99581)	2.19113, -0.11849, -5.55911
2	given	(-0.994, 0.023, 0.107), (0.011, 0.994, -0.11), (-0.109, -0.108, -0.988)	-2.63817, 1.6686, -7.71249

#1: Protein	CADHERIN-23 / / OTOCADHERIN Mass: 23798.400 Da / Num. of mol.: 2 / Fragment: EC1-2, RESIDUES 24-228 / Mutation: YES Source method: isolated from a genetically manipulated source Details: AMINO-ACID NUMBERING ACCORDING TO SEQUENCE OF CRYSTALLIZED CONSTRUCT. Source: (gene. exp.) MUS MUSCULUS (house mouse) / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q99PF4
#2: Chemical	ChemComp-CA / CALCIUM ION Mass: 40.078 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Ca
#3: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Na
#4: Chemical	ChemComp-CL / CHLORIDE ION / Chloride Mass: 35.453 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Cl
#5: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 52 / Source method: isolated from a natural source / Formula: H₂O
Compound details	ENGINEERED RESIDUE IN CHAIN A, ASP 124 TO GLY ENGINEERED RESIDUE IN CHAIN C, ASP 124 TO GLY
Sequence details	RESIDUE ASPARTATE 124 (DATABASE NUMBERING) IS MUTATED TO GLYCINE.

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 5.38 Å³/Da / Density % sol: 77.15 % / Description: NONE
Crystal grow	pH: 7.1 / Details: 0.1M SODIUM CACODYLATE PH 7.1, 1M NACL

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: NSLS / Beamline: X25 / Wavelength: 0.9795
Detector	Type: ADSC CCD / Detector: CCD / Date: Jan 28, 2009
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9795 Å / Relative weight: 1
Reflection	Resolution: 2.75→30 Å / Num. obs: 28267 / % possible obs: 97.9 % / Observed criterion σ(I): 2 / Redundancy: 7.4 % / R_merge(I) obs: 0.09 / Net I/σ(I): 13.8
Reflection shell	Resolution: 2.75→2.8 Å / Redundancy: 5.2 % / R_merge(I) obs: 0.49 / Mean I/σ(I) obs: 4.47 / % possible all: 97.4

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Processing

Software

Name	Version	Classification
REFMAC	5.5.0070	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 2WCP

2wcp

Resolution: 2.74→29.77 Å / Cor.coef. F_o:F_c: 0.925 / Cor.coef. F_o:F_c free: 0.907 / SU B: 21.451 / SU ML: 0.185 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R: 0.316 / ESU R Free: 0.25 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS DURING REFINEMENT.

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.24865	1384	5 %	RANDOM
R_work	0.21941	-	-	-
obs	0.22089	26041	97.88 %	-

Solvent computation

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

Displacement parameters

B_iso mean: 23.276 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.03 Å²	0 Å²	0 Å²
2-	-	0.03 Å²	0 Å²
3-	-	-	-0.06 Å²

Refinement step

Cycle: LAST / Resolution: 2.74→29.77 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3248	0	11	52	3311

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.011	0.022	3360
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	2172
X-RAY DIFFRACTION	r_angle_refined_deg	1.099	1.946	4608
X-RAY DIFFRACTION	r_angle_other_deg	0.8	3	5314
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.67	5	418
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	39.025	24.819	166
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	18.093	15	498
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	17.595	15	18
X-RAY DIFFRACTION	r_chiral_restr	0.066	0.2	532
X-RAY DIFFRACTION	r_gen_planes_refined	0.005	0.021	3802
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	676
X-RAY DIFFRACTION	r_nbd_refined
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined
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
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined
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	0.463	1.5	2096
X-RAY DIFFRACTION	r_mcbond_other	0.058	1.5	828
X-RAY DIFFRACTION	r_mcangle_it	0.875	2	3444
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it	0.992	3	1264
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it	1.743	4.5	1164
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

Refine-ID: X-RAY DIFFRACTION

Ens-ID	Dom-ID	Auth asym-ID	Number	Type	Rms dev position (Å)	Weight position
1	1	A	1298	loose positional	0.45	5
1	2	C	1298	loose positional	0.45	5
2	1	A	1274	loose positional	0.49	5
2	2	C	1274	loose positional	0.49	5
1	1	A	1298	loose thermal	2.45	10
1	2	C	1298	loose thermal	2.45	10
2	1	A	1274	loose thermal	2.37	10
2	2	C	1274	loose thermal	2.37	10

LS refinement shell

Resolution: 2.744→2.814 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.414	99	-
R_work	0.358	1876	-
obs	-	-	97.58 %

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	1.255	0.0506	1.1229	2.8149	0.35	2.0702	0.18	0.2307	-0.3714	-0.4207	-0.1877	0.1543	-0.1364	-0.3561	0.0078	0.2618	0.1454	-0.1202	0.3793	-0.2426	0.252	-6.227	11.649	-22.864
2	4.711	-1.5756	-1.9149	3.06	-0.3101	2.1304	-0.3235	0.0093	-0.2035	0.1851	0.195	0.4331	-0.1919	-0.1751	0.1285	0.1655	0.0542	0.018	0.0425	0.0278	0.1361	-13.687	21.442	-3.808
3	1.2055	-1.5159	-2.6383	5.0103	0.4318	8.4578	-0.0796	0.1592	-0.2028	0.0449	-0.2978	0.3248	0.2201	-0.2547	0.3774	0.0223	-0.0193	0.0169	0.0309	-0.0321	0.0371	-6.017	10.964	-14.91
4	3.4096	-3.6247	-1.7886	8.1057	4.4833	6.4093	-0.2203	0.0478	0.1607	-0.2906	0.2137	0.0843	-0.2451	0.0578	0.0066	0.0923	-0.0238	-0.0289	0.0284	0.0301	0.0358	-2.912	21.295	-16.255
5	9.142	-5.3301	-0.9905	4.7074	1.1073	2.0486	-0.0876	0.0108	0.3493	0.0925	0.1164	-0.1778	-0.1775	-0.083	-0.0289	0.0459	0.0154	0.0104	0.018	0.0014	0.0218	-6.807	25.534	-5.539
6	3.3982	-2.1647	-3.142	8.085	3.9014	5.1911	0.0821	0.9077	-0.0718	-0.2869	-0.3135	0.6519	-0.4177	-0.8444	0.2315	0.0648	0.0483	-0.0141	0.31	0.0112	0.0766	-13.234	27.122	-13.009
7	11.8282	0.5826	-1.6646	1.0378	-1.6516	2.6795	-0.1185	0.1212	0.2296	-0.0975	-0.0717	-0.1348	0.1473	0.109	0.1902	0.047	-0.0109	0.0259	0.0147	0.007	0.0315	3.204	16.07	-24.036
8	1.6765	-1.3232	-1.5181	1.7162	1.1049	1.4647	-0.0782	-0.0541	-0.1005	-0.0372	-0.0092	0.3874	0.0691	0.1139	0.0874	0.0995	0.0511	-0.0373	0.0841	0.0161	0.1686	-16.66	27.936	-6.198
9	8.7356	-3.4606	-4.5171	3.2605	1.5852	3.5017	-0.0973	-0.5054	0.2691	0.0486	0.2233	-0.2427	-0.1705	0.1235	-0.126	0.0603	0.0506	-0.0099	0.0672	-0.0257	0.0233	-34.886	55.507	17.735
10	0.5685	0.1246	-1.5872	1.3356	-0.2063	4.6404	-0.0537	-0.1747	-0.0112	0.0458	0.0938	0.1305	-0.017	0.4118	-0.0402	0.1649	0.1237	0.0559	0.1745	-0.0181	0.1388	-29.449	37.578	10.163
11	3.2047	-0.7374	2.8874	0.7542	0.7416	6.7486	-0.1263	-0.4571	-0.0509	0.0387	0.1943	-0.088	-0.2861	-0.2918	-0.0681	0.1158	0.0714	-0.0145	0.1031	-0.0161	0.1069	-35.307	45.19	24.263
12	3.6575	0.5906	-0.9742	7.7115	1.9879	0.867	-0.0826	-0.351	-0.1786	0.047	-0.0976	0.4277	0.028	0.0679	0.1802	0.061	0.0714	0.0014	0.106	0.0042	0.0418	-40.792	50.59	22.249
13	1.7795	-1.7443	-0.6368	5.314	2.1273	3.7944	0.0933	-0.2582	0.0903	0.6316	0.0094	-0.9156	0.2594	-0.6086	-0.1028	0.2349	0.0359	-0.1378	0.2859	0.0144	0.2269	-29.921	44.313	22.187
14	0.1391	-0.559	-0.0726	6.3115	1.529	3.918	-0.131	-0.1501	0.1068	0.268	-0.0154	0.0515	-0.1152	0.2175	0.1464	0.2047	0.1641	-0.0507	0.2873	-0.1909	0.2455	-26.189	45.439	18.956
15	11.1456	9.4735	12.6901	8.0583	10.7927	14.4568	-1.7807	1.6635	0.2727	-1.4961	1.515	0.2005	-2.0282	1.9776	0.2657	0.6731	0.2187	0.1407	1.2808	-0.3418	1.033	-38.365	66.748	27.398
16	0.2854	1.1209	0.2529	7.1572	-1.703	2.9708	0.0233	-0.1382	-0.1202	0.5303	-0.1371	-0.5778	-0.4762	-0.3501	0.1138	0.1451	0.0017	-0.0959	0.4501	0.2158	0.1896	9.082	15.338	14.297
17	4.2561	1.2468	0.5564	0.6858	0.2327	0.846	-0.1696	0.2757	0.2166	-0.1783	0.1792	-0.1781	-0.0735	0.1359	-0.0096	0.1419	-0.0556	0.1177	0.0563	-0.0596	0.2041	10.597	23.868	-6.752
18	0.7553	-0.2482	1.2202	0.8434	1.6058	7.2585	0.0968	-0.0386	-0.0778	-0.0467	-0.0467	0.0532	0.1197	-0.2083	-0.0502	0.0146	-0.0073	-0.0128	0.0639	0.0294	0.0225	6.908	12.964	7.645
19	2.8108	-0.2344	2.5178	0.4179	0.7261	5.3719	-0.1387	-0.6526	0.1163	-0.0186	0.2909	-0.0667	-0.4785	-0.3909	-0.1522	0.1034	0.1192	0.0595	0.4205	-0.0174	0.0842	2.179	22.702	8.503
20	8.7229	5.2849	-1.8022	7.3123	-3.4086	2.3803	0.0359	-0.4204	0.6423	-0.021	0.0671	0.4416	-0.1548	0.1073	-0.103	0.0527	-0.0527	-0.0074	0.1037	-0.0091	0.0553	5.409	26.119	-2.455
21	1.1499	0.8893	-0.1431	2.7113	-1.2069	4.7722	0.1868	-0.7025	0.1639	0.7291	-0.1005	-0.5956	-1.4261	-0.0596	-0.0864	0.4863	-0.0059	-0.059	0.5322	-0.2637	0.3359	11.623	29.707	4.809
22	2.5429	-2.2301	-1.8435	8.774	-0.3822	1.9227	0.1546	-0.0984	0.0792	0.065	-0.0076	0.2449	-0.1708	0.1047	-0.147	0.0177	-0.0183	0.0085	0.224	0.0282	0.0309	-2.953	17.705	17.173
23	1.7717	1.1663	-0.4769	2.3596	-1.6387	1.3143	-0.1309	-0.1397	0.2817	0.1563	0.1404	-0.02	-0.1852	-0.163	-0.0095	0.1242	-0.0017	-0.014	0.0783	-0.0533	0.2041	15.698	29.673	-1.973
24	9.0565	2.8147	-2.8574	3.7725	-1.7627	3.7293	0.0548	0.3166	0.1616	0.1205	0.1187	0.3556	-0.5334	-0.1208	-0.1735	0.1158	0.0067	0.0474	0.0154	0.0174	0.0939	35.109	54.497	-27.354
25	2.1744	1.9186	-0.9468	1.6976	-0.8413	0.4358	-0.0847	-0.041	-0.1128	-0.1002	-0.0209	-0.106	0.0691	0.0273	0.1056	0.1352	-0.0753	0.0401	0.0952	0.0646	0.1554	28.683	37.569	-18.725
26	3.0439	1.7038	0.6095	4.7134	-4.0023	7.4615	0.0471	0.4089	-0.1041	-0.5413	0.3984	0.2453	0.0196	0.5434	-0.4455	0.3247	-0.1708	0.0574	0.2646	0.0227	0.1502	36.181	43.503	-32.786
27	4.0828	1.86	-2.9888	6.1631	-6.3062	7.3526	0.2448	-0.012	-0.0844	0.0598	-0.1783	-0.154	-0.2673	0.1425	-0.0664	0.0501	0.0057	0.052	0.0084	0.016	0.1028	41.446	49.087	-30.729
28	3.2119	3.0734	-1.9447	8.4211	-3.0911	2.6358	-0.4279	0.4474	0.0898	-0.7209	0.6612	0.4258	0.4434	-0.4707	-0.2333	0.136	-0.1092	-0.0334	0.1053	0.0423	0.0409	30.231	43.197	-31.333
29	1.1587	0.6027	1.4048	0.362	0.836	1.9361	-0.2236	0.3092	0.2368	-0.0965	0.0681	0.0698	-0.2101	0.1688	0.1556	0.2044	-0.1224	-0.0403	0.2693	0.1934	0.2237	26.42	44.398	-28.509
30	2.4808	-4.8432	0.6007	9.5785	-1.6388	1.9814	0.067	-0.0105	0.0264	-0.17	0.0433	-0.0079	0.1302	-0.0269	-0.1102	0.0865	-0.0351	0.0064	0.0569	0.0509	0.0816	39.05	64.874	-37.963

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	2 - 14
2	X-RAY DIFFRACTION	1	A	504
3	X-RAY DIFFRACTION	2	A	15 - 30
4	X-RAY DIFFRACTION	3	A	31 - 36
5	X-RAY DIFFRACTION	4	A	37 - 56
6	X-RAY DIFFRACTION	5	A	57 - 75
7	X-RAY DIFFRACTION	6	A	76 - 84
8	X-RAY DIFFRACTION	7	A	85 - 89
9	X-RAY DIFFRACTION	8	A	90 - 110
10	X-RAY DIFFRACTION	8	A	501 - 502
11	X-RAY DIFFRACTION	8	A	601
12	X-RAY DIFFRACTION	9	A	111 - 133
13	X-RAY DIFFRACTION	10	A	134 - 149
14	X-RAY DIFFRACTION	11	A	150 - 161
15	X-RAY DIFFRACTION	12	A	162 - 172
16	X-RAY DIFFRACTION	13	A	173 - 192
17	X-RAY DIFFRACTION	14	A	193 - 203
18	X-RAY DIFFRACTION	15	A	204 - 208
19	X-RAY DIFFRACTION	16	C	2 - 17
20	X-RAY DIFFRACTION	16	C	504
21	X-RAY DIFFRACTION	17	C	18 - 30
22	X-RAY DIFFRACTION	18	C	31 - 36
23	X-RAY DIFFRACTION	19	C	37 - 56
24	X-RAY DIFFRACTION	20	C	57 - 75
25	X-RAY DIFFRACTION	21	C	76 - 84
26	X-RAY DIFFRACTION	22	C	85 - 89
27	X-RAY DIFFRACTION	23	C	90 - 110
28	X-RAY DIFFRACTION	23	C	501 - 503
29	X-RAY DIFFRACTION	23	C	601
30	X-RAY DIFFRACTION	24	C	111 - 133
31	X-RAY DIFFRACTION	25	C	134 - 149
32	X-RAY DIFFRACTION	26	C	150 - 161
33	X-RAY DIFFRACTION	27	C	162 - 172
34	X-RAY DIFFRACTION	28	C	173 - 192
35	X-RAY DIFFRACTION	29	C	193 - 203
36	X-RAY DIFFRACTION	30	C	204 - 208

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