PDB-2rck: Crystal structure of juvenile hormone binding protein from Galler...

ID or keywords:

Entry

Database: PDB / ID: 2rck

Title

Crystal structure of juvenile hormone binding protein from Galleria mellonella hemolymph

Components

Juvenile hormone binding protein

Keywords

HORMONE BINDING PROTEIN / Galleria mellonella / hemolymph / JHBP-fold / juvenile hormone

Function / homology

Function and homology information

extracellular space
Similarity search - Function

Biological species

Galleria mellonella (greater wax moth)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MAD / Resolution: 2.44 Å

Authors

Kolodziejczyk, R. / Bujacz, G. / Jakob, M. / Ozyhar, A. / Jaskolski, M. / Kochman, M.

Citation

Journal: J.Mol.Biol. / Year: 2008
Title: Insect Juvenile Hormone Binding Protein Shows Ancestral Fold Present in Human Lipid-Binding Proteins.
Authors: Kolodziejczyk, R. / Bujacz, G. / Jakob, M. / Ozyhar, A. / Jaskolski, M. / Kochman, M.

History

Deposition	Sep 20, 2007	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Mar 4, 2008	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Version format compliance
Revision 1.2	Oct 25, 2017	Group: Advisory / Refinement description / Category: pdbx_unobs_or_zero_occ_atoms / software / Item: _software.name
Revision 1.3	Jul 29, 2020	Group: Data collection / Derived calculations / Structure summary Category: chem_comp / diffrn_source ...chem_comp / diffrn_source / entity / pdbx_chem_comp_identifier / pdbx_entity_nonpoly / struct_conn / struct_site / struct_site_gen Item: _chem_comp.name / _chem_comp.type ..._chem_comp.name / _chem_comp.type / _diffrn_source.pdbx_synchrotron_site / _entity.pdbx_description / _pdbx_entity_nonpoly.name / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_role Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 1.4	Oct 16, 2024	Group: Advisory / Data collection ...Advisory / Data collection / Database references / Structure summary Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature / pdbx_unobs_or_zero_occ_atoms Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Remark 999

SEQUENCE AUTHOR STATES THAT THERE IS A SEQUENCE ERROR IN DATABASE. DATABASE RESIDUE 201 (RESIDUE ...

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	2rck.cif.gz	100.5 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	2rck_validation.pdf.gz	480.9 KB	Display	wwPDB validaton report
Full document	2rck_full_validation.pdf.gz	495.6 KB	Display
Data in XML	2rck_validation.xml.gz	23 KB	Display
Data in CIF	2rck_validation.cif.gz	29.8 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/rc/2rck ftp://data.pdbj.org/pub/pdb/validation_reports/rc/2rck	HTTPS FTP

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Related structure data

Similar structure data	3ux3-d 1zel-1 5fq2-d 1sfx-d 4w5v-d 5xnq-d 4q1q-2 4p8s-d 3h6n-1 1xja-1 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

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: Juvenile hormone binding protein

B: Juvenile hormone binding protein

hetero molecules

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

1

A: Juvenile hormone binding protein

hetero molecules

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

2

B: Juvenile hormone binding protein

hetero molecules

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

Unit cell

Length a, b, c (Å)	109.950, 109.950, 94.020
Angle α, β, γ (deg.)	90.00, 90.00, 120.00
Int Tables number	152
Space group name H-M	P3₁21

#1: Protein

Juvenile hormone binding protein

Mass: 25011.379 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Details: GREATER Wax moth / Source: (natural)

Galleria mellonella (greater wax moth) / Tissue: hemolymph / References: UniProt: Q8ITP4

#2: Sugar

ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE

Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Formula: C₈H₁₅NO₆

Identifier	Type	Program
DGlcpNAcb	CONDENSED IUPAC CARBOHYDRATE SYMBOL	GMML 1.0
N-acetyl-b-D-glucopyranosamine	COMMON NAME	GMML 1.0
b-D-GlcpNAc	IUPAC CARBOHYDRATE SYMBOL	PDB-CARE 1.0
GlcNAc	SNFG CARBOHYDRATE SYMBOL	GMML 1.0

#3: Chemical

ChemComp-SO4 / SULFATE ION

Mass: 96.063 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: SO₄

#4: Chemical

ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL

Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₃H₈O₃

#5: Water

ChemComp-HOH / water

Mass: 18.015 Da / Num. of mol.: 92 / Source method: isolated from a natural source / Formula: H₂O

Has protein modification

Y

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 3.17 Å³/Da / Density % sol: 61.19 %
Crystal grow	Temperature: 292 K / Method: vapor diffusion, hanging drop / pH: 7 Details: 2.2M ammonium sulfate, 20mM sodium phosphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

EMBL/DESY, HAMBURG

/ Beamline: X11 / Wavelength: 1.00850, 1.00916, 0.8130

Detector

Type: MAR CCD 165 mm / Detector: CCD / Date: Dec 12, 2006 / Details: mirror

Radiation

Monochromator: Si [111] horizontally focussing / Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

ID	Wavelength (Å)	Relative weight
1	1.0085	1
2	1.00916	1
3	0.813	1

Reflection

Resolution: 2.44→40 Å / Num. all: 24890 / Num. obs: 24772 / % possible obs: 99.5 % / Observed criterion σ(I): -2 / Redundancy: 9.4 % / B_iso Wilson estimate: 57.9 Å² / R_merge(I) obs: 0.062 / Net I/σ(I): 31.4

Reflection shell

Resolution: 2.44→2.53 Å / Redundancy: 6 % / R_merge(I) obs: 0.538 / Mean I/σ(I) obs: 2.8 / Num. unique all: 2378 / % possible all: 97.3

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0019	refinement
MAR345		data collection
HKL-2000		data reduction
HKL-2000		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

MAD / Resolution: 2.44→40 Å / Cor.coef. F_o:F_c: 0.954 / Cor.coef. F_o:F_c free: 0.905 / SU B: 15.919 / SU ML: 0.188 / TLS residual ADP flag: LIKELY RESIDUAL / Isotropic thermal model: Individual isotropic / Cross valid method: R-free / σ(F): 0 / σ(I): -2 / ESU R: 0.28 / ESU R Free: 0.251 / Stereochemistry target values: Engh & Huber
Details: HYDROGEN ATOMS WERE ADDED AT RIDING POSITIONS; TLS GROUPS WERE GENERATED BY THE TLSMD SERVER; MISSING RESIDUES: 222-225 (CHAIN A), 1-8, 135-139, 222-225 (CHAIN B).

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.264	1256	5.1 %	RANDOM
R_work	0.1909	-	-	-
all	0.1945	23459	-	-
obs	0.1945	23459	99.66 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK

Displacement parameters

B_iso mean: 35.72 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.96 Å²	0.48 Å²	0 Å²
2-	-	0.96 Å²	0 Å²
3-	-	-	-1.43 Å²

Refinement step

Cycle: LAST / Resolution: 2.44→40 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3349	0	50	92	3491

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.018	0.022	3381
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	2261
X-RAY DIFFRACTION	r_angle_refined_deg	1.566	1.978	4590
X-RAY DIFFRACTION	r_angle_other_deg	2.704	3.003	5511
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	13.38	5	428
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	35.918	25	134
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	21.171	15	564
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	20.893	15	12
X-RAY DIFFRACTION	r_chiral_restr	0.095	0.2	543
X-RAY DIFFRACTION	r_gen_planes_refined	0.005	0.02	3704
X-RAY DIFFRACTION	r_gen_planes_other	0.004	0.02	636
X-RAY DIFFRACTION	r_nbd_refined	0.234	0.2	678
X-RAY DIFFRACTION	r_nbd_other	0.239	0.2	2194
X-RAY DIFFRACTION	r_nbtor_refined	0.188	0.2	1630
X-RAY DIFFRACTION	r_nbtor_other	0.103	0.2	1885
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.194	0.2	103
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.207	0.2	19
X-RAY DIFFRACTION	r_symmetry_vdw_other	0.196	0.2	28
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.143	0.2	8
X-RAY DIFFRACTION	r_mcbond_it	1.758	1.5	2729
X-RAY DIFFRACTION	r_mcbond_other	0.249	1.5	869
X-RAY DIFFRACTION	r_mcangle_it	1.927	2.5	3458
X-RAY DIFFRACTION	r_scbond_it	4.366	5	1439
X-RAY DIFFRACTION	r_scangle_it	6.467	10	1131

LS refinement shell

Resolution: 2.44→2.503 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.359	98	-
R_work	0.25	1645	-
obs	-	-	97.21 %

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	32.6295	-27.8815	-8.6959	28.9483	5.5966	14.0501	-0.4266	-0.7164	-2.7198	0.9752	0.7596	2.1371	-0.5275	-0.6933	-0.333	0.1974	-0.0689	-0.2177	0.282	0.0741	0.6689	5.8268	34.7232	36.066
2	21.2122	-5.488	-7.4875	2.7025	2.8632	3.3115	2.0959	-0.5172	-1.2017	-1.2111	-1.6387	1.4215	0.1128	-2.4949	-0.4573	0.2892	0.1774	-0.3243	0.3267	-0.2974	0.4076	15.3924	30.7813	29.6787
3	2.3862	1.1152	0.5457	1.9199	1.7944	1.8189	-0.0934	0.0366	-0.2527	-0.0424	-0.1265	0.2713	0.2279	0.3051	0.22	0.0471	0.1248	0.0561	0.1542	-0.0308	0.1301	26.4779	36.7326	43.5518
4	5.4432	2.3531	-0.5141	7.3973	0.2828	0.0885	-0.1277	-0.4162	0.0075	0.3206	-0.1662	-0.1195	-0.0407	0.1064	0.2939	0.0584	0.1139	0.0081	0.2387	0.0814	0.0356	40.5052	40.4015	43.124
5	14.5206	-5.123	-9.7504	23.1633	11.5153	10.7526	-0.1161	-0.0983	-1.8543	-1.2072	0.474	-0.2327	0.6502	0.9546	-0.3579	0.2771	-0.0655	0.3077	0.3784	0.0352	0.59	56.0544	35.8993	33.7739
6	51.6716	33.6446	6.5332	25.1715	-3.3239	18.4152	-1.2618	3.4131	-3.5633	-2.1708	1.1497	-2.468	2.8326	0.9465	0.1121	0.6631	0.0782	0.0994	0.3644	-0.0933	0.3921	63.6905	36.9789	29.1947
7	9.2997	1.8872	2.1378	4.0485	1.0822	4.7699	0.1909	-0.5653	-0.138	-0.0028	-0.2443	-0.3913	-0.4716	-0.099	0.0534	0.0619	0.0092	0.0575	0.0638	0.0598	0.0627	39.3821	42.8171	37.1729
8	16.8915	7.408	6.5359	25.2153	1.415	12.6899	0.0069	-0.3427	-1.634	-1.2534	-0.4451	0.7751	1.2054	-0.5163	0.4382	0.3086	0.0729	-0.0155	0.1287	-0.1562	0.2346	23.93	25.8335	28.1716
9	17.2234	9.0555	3.2247	12.8244	2.6137	0.7083	0.4054	0.2182	0.3542	0.1598	-0.2289	-0.006	-0.1554	-0.0022	-0.1765	0.1897	0.1068	0.0766	0.1646	0.0055	-0.0175	35.4907	43.9339	30.8784
10	26.1893	0.6235	-8.7407	0.0395	0.1163	7.1915	0.1663	-0.4431	1.1851	0.205	0.1996	0.0648	-0.0293	0.158	-0.3658	0.0645	-0.1082	0.081	0.0586	-0.0078	0.277	56.2535	45.223	37.8845
11	7.5011	-6.4453	6.3414	13.5132	-4.3049	5.5251	-0.2271	0.2199	0.1062	0.1051	-0.026	-0.6318	0.6554	0.8062	0.2532	0.1022	-0.0156	0.0829	0.1406	0.0311	0.1413	66.7565	44.8198	37.1472
12	2.2506	-1.2922	0.6021	1.467	0.0544	1.9686	0.3378	0.0231	0.2511	-0.1055	-0.5703	0.3712	0.1769	0.2352	0.2325	0.1406	0.1106	0.177	0.1277	0.0264	0.0457	37.6498	37.9512	32.048
13	14.9091	-7.982	0.6837	4.2733	-0.366	0.0314	0.3871	-2.4452	-1.7043	1.7624	0.4024	0.5614	2.4748	1.0252	-0.7895	0.8548	-0.29	0.2672	0.5084	0.015	0.7924	22.7923	15.6563	46.0834
14	6.2182	4.204	-6.4924	11.8305	-7.9769	11.8475	-0.2469	0.5612	-0.522	-0.4724	-0.1017	-0.2305	0.4826	-0.1045	0.3487	0.0527	0.0538	0.092	0.0473	-0.069	0.0396	34.3053	30.092	30.6633
15	32.8815	17.2755	15.5351	10.966	13.248	21.029	-0.1504	-0.8301	0.1668	0.1301	-0.0087	-0.1137	0.2872	-0.9306	0.1591	0.1677	0.0573	0.0985	0.0691	0.1971	0.2823	51.1527	51.6287	30.6893
16	5.4457	3.161	-4.5483	2.3433	0.043	17.9553	0.0061	0.0361	0.4521	-0.2833	-0.0517	0.0002	-0.153	-0.1398	0.0456	0.0238	-0.0911	0.0566	0.1747	-0.0023	0.1098	65.0189	51.03	29.5151
17	50.7078	9.3933	-23.0695	1.7412	-4.3727	19.3353	-0.784	1.8602	-0.9239	-0.4949	0.5084	0.0296	0.9071	-1.761	0.2756	-0.0001	-0.1909	0.0419	0.2778	-0.0548	0.1309	59.5819	43.559	21.2781
18	13.0929	6.4806	-10.4117	13.8861	4.7494	22.9535	-0.0996	0.7173	-0.8077	-0.9173	0.5696	-1.3767	-0.3571	0.4244	-0.4699	0.0851	0.0688	0.2341	0.1902	-0.0222	0.1241	46.6921	39.0547	29.2386
19	1.9144	1.5028	1.8855	8.2224	0.0375	2.1527	-0.3035	0.272	-0.7088	-0.1142	0.0356	-0.324	0.3063	-0.1572	0.2679	0.0598	0.1083	0.0653	0.1348	-0.0283	0.1326	33.6011	31.3821	38.7069
20	7.808	3.9782	3.6685	14.9263	3.6246	23.8281	0.2165	-1.7766	2.0112	0.0734	-0.9967	2.3819	2.0987	-3.6517	0.7802	0.2104	-0.1672	0.1754	0.4746	0.0249	0.8811	19.176	24.8586	43.6372
21	31.7799	14.5751	-16.6821	26.5895	-54.3905	118.5083	0.2891	-0.3061	3.117	2.7525	0.4924	-2.0927	-5.8053	-3.1386	-0.7815	1.073	-0.0276	-0.1508	0.2355	0.0835	0.8725	69.6821	74.541	47.2763
22	6.3833	-6.8587	4.1419	14.9441	-1.7947	17.2016	-0.1654	0.0509	0.7779	0.2313	-0.6002	-1.2256	-2.0714	1.1524	0.7657	0.2832	-0.1951	-0.128	0.0835	-0.0532	0.1722	72.2122	64.6406	51.4661
23	11.409	-3.9673	6.7159	12.8336	0.4286	4.6202	-0.0876	-0.8136	0.0799	2.5254	-0.0277	0.0862	-1.0944	-0.0086	0.1153	0.7939	-0.2767	-0.0022	0.2531	-0.2057	-0.0464	66.635	57.1691	63.4685
24	1.4049	0.9683	2.8485	9.5793	0.8606	5.9122	-0.1615	-0.6218	0.0196	1.5269	-0.0229	0.9033	-0.4208	-0.3411	0.1844	0.318	-0.138	0.2064	0.2136	-0.023	0.0395	62.6252	48.4938	59.7422
25	57.9883	-27.213	-44.0546	58.2302	80.2821	123.4967	0.5433	3.2082	-1.223	-2.0147	-0.1061	-0.1386	2.0308	-1.4501	-0.4372	0.8296	0.1694	-0.1475	0.1466	0.3019	0.0465	61.4553	28.4454	41.9496
26	13.9125	-10.4563	-7.7601	49.3102	4.4738	4.3729	0.7596	-0.3781	-0.5912	-0.7868	-0.0389	-0.5916	-0.2116	-1.6752	-0.7207	0.178	-0.2057	-0.1396	0.2469	0.3166	0.0862	61.5196	28.0834	49.2984
27	3.9606	1.2621	-0.7083	10.5222	-5.0047	7.5476	0.0486	-0.0484	0.4776	0.3392	-0.1288	0.1958	-0.7965	0.2066	0.0802	0.1068	-0.1573	-0.0256	0.0681	-0.0632	-0.0599	69.8819	54.685	48.8334
28	11.3074	10.8064	-5.2394	25.6802	-6.0695	2.5012	0.2766	-0.8507	-0.1462	0.9883	-0.4302	0.418	-0.4591	0.7266	0.1536	0.1472	-0.1688	-0.1571	0.2048	0.1414	-0.0414	69.2856	35.2905	56.3201
29	7.1971	6.3679	-0.1966	16.997	-1.9132	4.8588	-0.6247	0.0058	-0.3362	-1.3524	0.2735	-0.2001	0.8446	0.1638	0.3512	0.2465	-0.0922	-0.0025	0.1282	0.1917	0.0759	64.3223	23.4816	53.1196
30	6.8703	-5.0442	3.8915	10.2688	-4.4414	5.2069	-0.3735	-1.0424	0.6502	1.0828	0.4688	-0.3414	-0.9035	0.1675	-0.0953	0.246	-0.1576	0.0183	0.0805	0.0365	0.0713	67.6251	53.5509	46.1901
31	17.4572	-11.9578	-6.1329	16.0594	9.6678	25.8451	0.7584	0.5047	2.3873	1.0068	-1.3169	-0.1602	-2.0911	-2.228	0.5585	0.65	0.1858	0.2433	0.1572	-0.1167	0.6609	53.7109	67.8717	50.211
32	38.4989	-19.8848	-1.316	12.9409	0.7633	4.9991	0.2952	-0.3374	-0.4748	-0.2321	-0.2089	0.0745	-0.1696	0.7473	-0.0863	-0.0154	-0.1155	0.0082	0.1833	0.0666	0.085	69.7716	46.6479	42.5888
33	15.0889	16.4924	-9.2667	19.7065	-12.7666	9.8328	0.764	-1.6509	-0.3518	-0.1342	-1.6918	-0.6932	0.0754	2.3402	0.9278	0.3035	0.0507	0.0784	0.3442	0.2839	0.173	74.8943	27.5895	54.5433
34	32.5241	18.9048	-1.5982	21.3235	-15.3454	20.1881	0.6098	1.1762	-2.2633	0.067	-1.1268	-2.8376	1.2567	2.2239	0.5169	0.5025	0.2784	0.228	0.1995	0.1794	0.2779	74.4137	17.9286	52.8296
35	16.9173	6.9286	-27.5949	34.8119	-22.3506	48.8298	0.5312	1.221	-0.6031	1.1366	0.6935	0.4861	-0.2486	-0.0072	-1.2247	0.557	0.253	0.0176	0.2236	0.0053	0.2737	70.2801	18.5325	43.3359
36	18.5398	8.4005	-5.8968	7.2286	-11.4655	24.4707	-0.4402	0.8714	-0.2981	-1.8477	0.3581	-1.6033	1.22	3.0962	0.0821	0.3529	0.1132	0.1804	0.264	-0.0423	0.2992	70.866	29.817	40.3186
37	0.4619	1.6821	-3.1352	18.3384	-8.0997	22.1812	0.5742	-0.0984	0.518	-1.9151	0.1506	0.8023	0.2405	0.9482	-0.7249	0.1406	-0.0787	-0.0682	0.2784	0.0662	0.0241	68.0093	37.9607	45.0584
38	9.4507	-0.0269	-0.4393	6.144	-7.6932	9.6567	0.0861	-0.1223	0.1544	-0.5597	0.2354	0.3776	-0.0824	0.789	-0.3215	0.2256	-0.0659	0.0602	0.0848	-0.0863	0.0892	64.6766	47.3511	49.7916
39	6.088	-6.491	-0.7352	24.8565	-2.439	0.6679	-0.7834	-0.6721	1.009	1.4683	0.3489	0.1779	0.0241	-0.5149	0.4345	0.384	-0.0577	0.1818	0.1396	-0.1231	0.2654	59.3019	58.7942	54.5451
40	65.305	12.5262	3.8305	9.4257	1.8516	0.4023	0.7906	-1.0983	0.9911	2.3978	-2.3517	-0.9602	-3.4622	-0.5624	1.5611	1.1671	-0.1691	0.2587	0.3647	-0.43	0.6405	60.9795	70.7175	56.4448

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	X-RAY DIFFRACTION	1	A	A	1 - 12	1 - 12
2	X-RAY DIFFRACTION	2	A	A	13 - 18	13 - 18
3	X-RAY DIFFRACTION	3	A	A	19 - 39	19 - 39
4	X-RAY DIFFRACTION	4	A	A	40 - 48	40 - 48
5	X-RAY DIFFRACTION	5	A	A	49 - 53	49 - 53
6	X-RAY DIFFRACTION	6	A	A	54 - 60	54 - 60
7	X-RAY DIFFRACTION	7	A	A	61 - 76	61 - 76
8	X-RAY DIFFRACTION	8	A	A	77 - 90	77 - 90
9	X-RAY DIFFRACTION	9	A	A	91 - 96	91 - 96
10	X-RAY DIFFRACTION	10	A	A	97 - 105	97 - 105
11	X-RAY DIFFRACTION	11	A	A	106 - 114	106 - 114
12	X-RAY DIFFRACTION	12	A	A	115 - 130	115 - 130
13	X-RAY DIFFRACTION	13	A	A	131 - 141	131 - 141
14	X-RAY DIFFRACTION	14	A	A	142 - 155	142 - 155
15	X-RAY DIFFRACTION	15	A	A	156 - 164	156 - 164
16	X-RAY DIFFRACTION	16	A	A	165 - 178	165 - 178
17	X-RAY DIFFRACTION	17	A	A	179 - 188	179 - 188
18	X-RAY DIFFRACTION	18	A	A	189 - 198	189 - 198
19	X-RAY DIFFRACTION	19	A	A	199 - 213	199 - 213
20	X-RAY DIFFRACTION	20	A	A	214 - 221	214 - 221
21	X-RAY DIFFRACTION	21	B	B	9 - 14	9 - 14
22	X-RAY DIFFRACTION	22	B	B	15 - 26	15 - 26
23	X-RAY DIFFRACTION	23	B	B	27 - 35	27 - 35
24	X-RAY DIFFRACTION	24	B	B	36 - 49	36 - 49
25	X-RAY DIFFRACTION	25	B	B	50 - 56	50 - 56
26	X-RAY DIFFRACTION	26	B	B	57 - 62	57 - 62
27	X-RAY DIFFRACTION	27	B	B	63 - 94	63 - 94
28	X-RAY DIFFRACTION	28	B	B	95 - 102	95 - 102
29	X-RAY DIFFRACTION	29	B	B	103 - 118	103 - 118
30	X-RAY DIFFRACTION	30	B	B	119 - 130	119 - 130
31	X-RAY DIFFRACTION	31	B	B	131 - 146	131 - 146
32	X-RAY DIFFRACTION	32	B	B	147 - 156	147 - 156
33	X-RAY DIFFRACTION	33	B	B	157 - 165	157 - 165
34	X-RAY DIFFRACTION	34	B	B	166 - 171	166 - 171
35	X-RAY DIFFRACTION	35	B	B	172 - 182	172 - 182
36	X-RAY DIFFRACTION	36	B	B	183 - 189	183 - 189
37	X-RAY DIFFRACTION	37	B	B	190 - 196	190 - 196
38	X-RAY DIFFRACTION	38	B	B	197 - 203	197 - 203
39	X-RAY DIFFRACTION	39	B	B	204 - 214	204 - 214
40	X-RAY DIFFRACTION	40	B	B	215 - 221	215 - 221

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