PDB-4h3l: mPlum-E16P

ID or keywords:

Entry

Database: PDB / ID: 4h3l

Title

mPlum-E16P

Components

Fluorescent protein plum

Keywords

FLUORESCENT PROTEIN

Function / homology

Function and homology information

bioluminescence / generation of precursor metabolites and energy
Similarity search - Function

Biological species

Discosoma sp. LW-2004 (sea anemone)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.65 Å

Authors

Moore, M.M. / Chica, R.A.

Citation

Journal: Plos One / Year: 2012
Title: Recovery of Red Fluorescent Protein Chromophore Maturation Deficiency through Rational Design.
Authors: Moore, M.M. / Oteng-Pabi, S.K. / Pandelieva, A.T. / Mayo, S.L. / Chica, R.A.

History

Deposition	Sep 14, 2012	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Oct 31, 2012	Provider: repository / Type: Initial release
Revision 1.1	Jan 16, 2013	Group: Database references
Revision 1.2	Nov 15, 2017	Group: Advisory / Refinement description Category: pdbx_unobs_or_zero_occ_atoms / pdbx_validate_polymer_linkage / software Item: _software.name
Revision 1.3	Sep 20, 2023	Group: Advisory / Data collection ...Advisory / 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 / pdbx_unobs_or_zero_occ_atoms / struct_conn / 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_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_asym_id / _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_asym_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_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 1.4	Dec 6, 2023	Group: Data collection / Category: chem_comp_atom / chem_comp_bond / Item: _chem_comp_atom.atom_id / _chem_comp_bond.atom_id_2

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4h3l.cif.gz	115 KB	Display	PDBx/mmCIF format
PDB format	pdb4h3l.ent.gz	88.9 KB	Display	PDB format
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Validation report

Summary document	4h3l_validation.pdf.gz	442.1 KB	Display	wwPDB validaton report
Full document	4h3l_full_validation.pdf.gz	446.2 KB	Display
Data in XML	4h3l_validation.xml.gz	23.3 KB	Display
Data in CIF	4h3l_validation.cif.gz	34 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/h3/4h3l ftp://data.pdbj.org/pub/pdb/validation_reports/h3/4h3l	HTTPS FTP

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Related structure data

Related structure data	4h3mC 4h3nC 2qlgS C: citing same article (ref.) S: Starting model for refinement
Similar structure data	7dna-6 2z6z-6 4h3m-1 5hzt-10 5h89-1 4h3n-d 4zin-2 2z6z-5 4dxp-d 5h88-2 6kyd-d 4zin-3 4kf4-7 3zul-1 2h5q-d 6d39-d 6myc-6 3ir8-1 5hzt-4 7dmx-4 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

4h3mC

4h3nC

2qlgS

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	#174 - Jun 2014 GFP-like Proteins similarity (4) #42 - Jun 2003 Green Fluorescent Protein similarity (4)

Deposited unit

A: Fluorescent protein plum

B: Fluorescent protein plum

hetero molecules

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

1

A: Fluorescent protein plum

hetero molecules

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

2

B: Fluorescent protein plum

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

Unit cell

Length a, b, c (Å)	61.229, 76.888, 95.801
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

#1: Protein	Fluorescent protein plum / mPlum-E16P Mass: 26515.896 Da / Num. of mol.: 2 / Mutation: E16P Source method: isolated from a genetically manipulated source Source: (gene. exp.) Discosoma sp. LW-2004 (sea anemone) / Production host: Escherichia coli (E. coli) / References: UniProt: Q5S3G7
#2: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Na
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 408 / Source method: isolated from a natural source / Formula: H₂O
Sequence details	MET66, TYR67, AND GLY68 CIRCULARIZED INTO ONE CHROMOPHORE (NRQ).

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.13 Å³/Da / Density % sol: 42.14 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 0.3 uL + 0.3 uL drops, precipitant: 200 mM magnesium chloride, 100 mM sodium cacodylate, pH 6.5, 50% (v/v) PEG200, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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Data collection

Diffraction

Mean temperature: 90 K

Diffraction source

Source:

SYNCHROTRON / Site:

SSRL

/ Beamline: BL12-2 / Wavelength: 1.5418, 1.5621, 1.7321

Detector

Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Mar 1, 2012

Radiation

Monochromator: double crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

ID	Wavelength (Å)	Relative weight
1	1.5418	1
2	1.5621	1
3	1.7321	1

Reflection

Resolution: 1.65→37.73 Å / Num. all: 55128 / Num. obs: 53773 / % possible obs: 97.9 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 3.3 % / R_merge(I) obs: 0.082 / Net I/σ(I): 7.2

Reflection shell

Resolution: 1.65→1.74 Å / Redundancy: 3.4 % / R_merge(I) obs: 0.511 / Mean I/σ(I) obs: 1.7 / % possible all: 97.5

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Processing

Software

Name	Version	Classification
PHENIX	(phenix.refine: 1.7.3_928)	refinement
iMOSFLM		data reduction
SCALA		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 2QLG

2qlg

Resolution: 1.65→33.87 Å / SU ML: 0.25 / σ(F): 1.34 / Phase error: 26.88 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2268	2726	5.08 %	RANDOM
R_work	0.1904	-	-	-
obs	0.1923	53662	97.36 %	-

Solvent computation

Shrinkage radii: 0.86 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 32.47 Å² / k_sol: 0.356 e/Å³

Displacement parameters

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-3.6601 Å²	-0 Å²	0 Å²
2-	-	-2.3107 Å²	-0 Å²
3-	-	-	5.9362 Å²

Refinement step

Cycle: LAST / Resolution: 1.65→33.87 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3346	0	1	408	3755

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.012	3592
X-RAY DIFFRACTION	f_angle_d	1.44	4884
X-RAY DIFFRACTION	f_dihedral_angle_d	13.241	1357
X-RAY DIFFRACTION	f_chiral_restr	0.086	504
X-RAY DIFFRACTION	f_plane_restr	0.008	643

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
1.65-1.68	0.3845	150	0.325	2635	X-RAY DIFFRACTION	97
1.68-1.7123	0.3764	162	0.308	2615	X-RAY DIFFRACTION	97
1.7123-1.7473	0.348	145	0.288	2609	X-RAY DIFFRACTION	96
1.7473-1.7853	0.3511	120	0.275	2649	X-RAY DIFFRACTION	96
1.7853-1.8268	0.271	147	0.2362	2650	X-RAY DIFFRACTION	98
1.8268-1.8725	0.2988	152	0.2228	2672	X-RAY DIFFRACTION	98
1.8725-1.9231	0.2362	130	0.2021	2693	X-RAY DIFFRACTION	98
1.9231-1.9797	0.2248	146	0.1946	2641	X-RAY DIFFRACTION	98
1.9797-2.0436	0.232	149	0.1844	2675	X-RAY DIFFRACTION	97
2.0436-2.1166	0.2312	153	0.1889	2608	X-RAY DIFFRACTION	96
2.1166-2.2013	0.2239	139	0.1813	2661	X-RAY DIFFRACTION	97
2.2013-2.3015	0.2567	152	0.1739	2687	X-RAY DIFFRACTION	98
2.3015-2.4228	0.199	134	0.1689	2711	X-RAY DIFFRACTION	98
2.4228-2.5745	0.2434	136	0.1694	2715	X-RAY DIFFRACTION	98
2.5745-2.7732	0.1933	128	0.1741	2651	X-RAY DIFFRACTION	95
2.7732-3.0522	0.2013	151	0.178	2714	X-RAY DIFFRACTION	98
3.0522-3.4934	0.214	146	0.1828	2731	X-RAY DIFFRACTION	98
3.4934-4.3998	0.1852	120	0.1539	2743	X-RAY DIFFRACTION	96
4.3998-33.8767	0.2053	166	0.2047	2876	X-RAY DIFFRACTION	98

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	0.1473	-0.0155	-0.0753	0.0463	0.0212	0.0597	0.02	0.0191	-0.0127	-0.0279	-0.0118	-0.0415	-0.0228	-0.0272	0.0421	0.1723	0.0367	0.0764	0.1835	-0.0746	0.3249	-7.9397	-24.5962	-6.0625
2	0.2245	0.0116	-0.0886	0.0088	-0.0355	0.1516	0.0749	0.1589	-0.1887	-0.0294	0.0854	-0.1154	0.2525	-0.0634	0.0025	0.1271	-0.0073	-0.0193	0.1017	-0.0116	0.2026	-11.266	-25.6737	8.2078
3	0.1001	0.2562	0.2356	0.6663	0.567	0.6919	0.0812	-0.0263	-0.2123	-0.0312	0.1497	0.001	0.0293	0.0833	0.0466	0.2499	-0.0126	-0.0688	0.1529	0.0611	0.2052	-8.5805	-20.4106	27.3351
4	0.3847	-0.0369	0.1231	0.1935	0.1062	0.3012	0.079	0.1377	-0.1541	0.0479	0.0062	-0.0426	0.0581	0.0598	0.0301	0.1052	-0.0115	-0.0097	0.1075	0.0029	0.1351	-14.1699	-19.0811	12.9087
5	0.0355	-0.016	-0.071	0.0072	0.0318	0.1417	-0.0195	0.0345	-0.0297	0.0602	-0.0492	0.0014	-0.0989	0.0212	-0.0984	0.0674	-0.026	-0.0125	0.0776	-0.0274	0.0874	-7.9084	-14.9481	0.6488
6	0.0564	0.0001	0.0247	0.0216	0.0333	0.0614	-0.0896	0.196	-0.0983	0.0553	-0.0213	-0.0073	-0.0629	-0.0549	0	0.1397	0.0008	-0.008	0.1232	-0.0336	0.1638	0.2391	-16.9301	-1.8676
7	0.2836	0.0327	-0.1589	0.4601	0.0909	0.1184	0.1031	-0.0926	-0.1343	0.0104	0.0033	-0.213	0.0397	0.0162	0.0393	0.0946	0.0193	-0.0261	0.068	-0.0097	0.1319	-2.2779	-12.9066	17.1678
8	0.216	-0.0268	-0.2564	0.0033	0.0312	0.3052	-0.0946	0.0111	-0.2628	-0.0619	0.0965	-0.0489	-0.0327	0.0632	-0.0116	0.1964	0.0138	-0.0754	0.1047	-0.0337	0.3162	-6.0944	-26.8404	8.0852
9	0.0088	-0.0199	-0.0112	0.0859	0.0421	0.021	0.0765	-0.11	-0.0713	0.0127	0.0792	-0.1528	0.0433	0.0221	0.0021	0.1789	-0.0032	-0.0159	0.2032	0.0008	0.1149	-6.467	-10.8964	28.5689
10	0.0691	0.0277	0.0323	0.0649	0.0588	0.0546	0.0227	-0.1424	0.1444	-0.0122	0.1357	0.0792	-0.0334	-0.0571	0.008	0.1844	0.0507	0.0184	0.2213	0.0032	0.1308	-16.8585	-6.8238	28.0686
11	0.0079	0.0045	0.0098	0.0055	0.0088	0.0156	-0.0114	-0.1763	-0.0572	-0.1304	0.0486	-0.0707	-0.0915	-0.1239	0.0003	0.1788	0.0123	0.0185	0.1827	0.001	0.1503	-17.3033	-4.9768	15.2601
12	0.0139	0.0163	-0.0116	0.0337	0.0099	0.0777	-0.1226	0.1405	0.0136	0.2991	0.0401	-0.1454	0.059	0.0708	-0.0001	0.1414	-0.0067	-0.044	0.1111	0.0021	0.1975	2.0255	-5.5746	6.0966
13	0.0429	0.0327	-0.0173	0.0243	-0.0128	0.006	-0.0003	0.0436	0.2068	0.1115	0.1113	-0.103	0.0771	-0.0297	0.0001	0.1458	0.0157	0.0207	0.153	-0.0063	0.1473	-8.25	-3.2275	13.3744
14	0.1501	-0.0001	0.0698	0.0389	-0.04	0.073	-0.1079	-0.1713	0.0896	-0.0225	-0.285	0.0965	-0.0626	-0.1269	-0.0074	0.2373	0.0313	0.0474	0.1708	-0.0289	0.2508	-17.1304	0.5186	21.0695
15	0.0003	-0.0022	0.0033	0.0143	-0.0215	0.0316	0.1286	0.0402	0.0768	0.0561	0.0029	-0.0905	0.0565	0.0807	-0	0.1581	0.0086	0.0097	0.1448	-0.0164	0.1528	-0.2605	-7.8461	12.8973
16	0.0063	-0.0017	-0.0004	0.004	0.003	0.0023	-0.1497	-0.0715	-0.0428	-0.0403	-0.0381	0.101	0.0672	0.0166	-0.0002	0.1219	0.0131	-0.0006	0.188	-0.0209	0.1906	7.3481	-20.8971	4.9144
17	0.0307	-0.0174	0.0374	0.0097	-0.021	0.0443	0.0536	0.0587	-0.0229	-0.0349	0.0411	0.0452	-0.073	0.0158	-0	0.1214	0.0048	-0.0098	0.1353	-0.0027	0.1521	0.6987	-8.8554	-0.0688
18	0.3479	-0.3056	-0.1835	1.2373	-0.3392	0.355	0.0303	0.0275	0.1246	-0.1579	-0.1201	-0.0762	0.0885	-0.0399	-0.0701	0.0821	-0.0007	-0.0064	0.1712	-0.0242	0.0833	-21.053	-12.6313	11.6963
19	0.011	-0.0053	0.0008	0.014	-0.0077	0.0045	-0.0124	0.0262	-0.074	-0.0062	-0.1186	0.1628	-0.0171	-0.1931	-0.0001	0.154	-0.0367	0.0254	0.1595	-0.0022	0.1767	-22.2038	-18.9868	18.3435
20	0.008	-0.0145	-0.0018	0.0274	0.0076	0.0141	0.0003	0.0345	-0.0518	0.0404	-0.0134	-0.0454	-0.0654	-0.1045	0	0.1271	0.0046	0.0065	0.1252	0.0093	0.1615	-9.9928	-7.3493	0.1827
21	0.0061	0.0199	-0.0022	0.2318	0.0527	0.0228	0.0465	0.0059	-0.0699	0.0693	-0.0922	0.0574	0.1034	0.3384	0.0005	0.1369	-0.0244	-0.029	0.1748	0.0623	0.1564	11.5487	-24.9959	53.089
22	0.1859	-0.0384	-0.0131	0.0504	0.0094	0.0734	0.0244	0.0278	-0.1037	-0.0723	0.1249	0.1641	0.0678	-0.1055	-0.0413	0.1245	-0.0035	-0.0352	0.1022	0.0293	0.0991	11.3687	-23.5304	33.5033
23	0.3843	-0.2449	-0.3183	0.4035	-0.0552	0.5325	0.073	0.0677	-0.0911	0.009	0.0893	-0.0037	0.0552	0.0093	0.1423	0.1389	-0.0203	-0.074	0.1375	-0.0665	0.2287	11.707	-22.2308	20.264
24	0.0565	0.0139	-0.0314	0.0023	-0.0039	0.1825	0.0376	-0.0983	-0.1479	0.0089	-0.0159	-0.019	0.1067	0.0246	0.0271	0.1177	0.007	-0.0062	0.1395	0.0079	0.0787	17.1533	-22.2027	39.1771
25	0.0535	-0.0246	0.021	0.0613	-0.0504	0.0408	-0.0652	-0.0466	0.0067	0.0524	0.0517	0.0643	-0.0544	0.2027	-0	0.1466	-0.0066	-0.015	0.1705	0.0344	0.1484	14.7738	-14.9967	29.844
26	0.0466	-0.0652	0.0173	0.0923	-0.0234	0.0069	-0.0292	-0.0461	-0.1288	-0.0938	-0.151	0.0423	-0.0494	0.0267	-0.0129	0.095	0.0136	-0.0125	0.1304	0.0033	0.0946	9.3897	-14.5304	48.2099
27	0.0434	0.017	-0.0287	0.0184	-0.0082	0.0732	-0.0151	-0.1011	-0.0278	-0.0296	0.073	0.0373	-0.094	-0.0149	0.004	0.1267	0.0016	0.0031	0.1208	0.0299	0.1314	1.2022	-17.6426	50.1929
28	0.1913	-0.0132	-0.1529	0.3751	-0.2751	0.596	0.0544	0.0951	0.067	-0.0436	0.0448	0.0558	-0.0863	-0.0578	0.5563	0.0806	-0.0262	-0.0284	0.0416	0.0737	0.0371	4.1164	-13.9082	31.8636
29	0.0062	0.0037	0.0114	0.0018	0.0062	0.0187	-0.0229	0.122	-0.2216	-0.0149	0.0953	-0.0153	0.0629	0.0366	-0	0.1551	-0.0024	-0.0309	0.118	0.0044	0.1717	7.7121	-26.4531	38.4693
30	0.0305	-0.0444	-0.0188	0.0642	0.0277	0.012	-0.0799	0.168	0.0262	-0.0157	0.1452	0.1345	0.0837	0.0591	0.0047	0.1667	-0.0273	-0.015	0.2342	0.0744	0.122	10.885	-8.5153	18.1627
31	0.0548	-0.0303	-0.0436	0.0166	0.024	0.0345	0.0455	0.12	0.0733	0.0046	0.0358	0.0356	-0.1465	-0.0114	0.0252	0.1518	-0.0652	0.0146	0.2685	0.0765	0.113	19.7327	-8.3502	20.5775
32	0.4677	0.0191	0.2624	0.0157	0.0199	0.1528	-0.0783	0.0714	-0.0117	0.0714	0.0418	0.029	-0.0993	0.105	-0.0309	0.1893	-0.0861	0.0137	0.1505	0.0524	0.1609	19.8751	-4.4827	32.53
33	0.0055	-0.0161	0.0076	0.0552	-0.0315	0.019	-0.13	-0.0163	0.0889	-0.112	0.1317	0.0801	-0.015	-0.0727	-0	0.1624	0.0039	0.0014	0.1128	0.0212	0.1738	0.4381	-5.7323	41.9419
34	0.0026	-0.0029	0.0021	0.003	-0.0024	0.0018	-0.0594	0.0037	0.0662	-0.0756	-0.0827	-0.0209	-0.0703	-0.0514	-0.0004	0.1153	0.0017	0.0225	0.1073	0.0069	0.2278	-0.3758	-5.8552	39.4364
35	0.227	0.1049	0.0341	0.1533	-0.1818	0.3774	0.0041	0.0634	0.1388	0.2593	-0.0081	0.0149	-0.0313	-0.0211	-0.1054	0.1624	-0.0213	0.0282	0.1241	0.0968	0.1984	15.1444	-2.1433	31.9711
36	0.0336	0.1352	0.1424	0.548	0.5755	0.6052	-0.0817	-0.0148	0.111	-0.055	-0.1272	-0.2019	-0.1445	0.2204	-0.4451	0.2053	-0.0655	-0.0128	0.1857	0.0893	0.1878	15.6323	-0.2535	28.3341
37	0.0066	-0.0073	-0.0038	0.0122	0.0106	0.0117	0.0275	0.0653	-0.0043	0.031	-0.1039	0.0479	0.1806	-0.1176	0	0.133	-0.0243	0.0079	0.1695	0.0347	0.1437	-0.7865	-11.8487	37.8493
38	0.0864	-0.0106	0.0964	0.0022	0.0035	0.1665	-0.0299	0.0868	0.0225	0.038	0.0218	0.0582	0.0082	0.0068	-0.0001	0.1148	-0.0053	0.0256	0.1333	0.0258	0.1255	8.758	-12.4514	42.7443
39	0.2861	0.0648	-0.0056	0.163	0.0405	0.0117	-0.0739	0.0357	0.0098	-0.0012	-0.0849	-0.0304	-0.1023	0.169	-0.0526	0.1574	0.0207	0.014	0.2168	0.0259	0.0716	23.8024	-19.2514	29.4636
40	0.4043	0.0651	0.2788	0.1266	0.1719	0.3325	0.0342	0.2376	0.1241	0.0177	0.0349	0.0644	-0.1184	-0.0393	0.0458	0.1677	0.015	0.0224	0.107	0.0383	0.1442	12.0268	-7.4426	47.8127

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	(chain A and resid 6:10)
2	X-RAY DIFFRACTION	2	(chain A and resid 11:18)
3	X-RAY DIFFRACTION	3	(chain A and resid 19:28)
4	X-RAY DIFFRACTION	4	(chain A and resid 29:69)
5	X-RAY DIFFRACTION	5	(chain A and resid 70:74)
6	X-RAY DIFFRACTION	6	(chain A and resid 75:91)
7	X-RAY DIFFRACTION	7	(chain A and resid 92:113)
8	X-RAY DIFFRACTION	8	(chain A and resid 114:123)
9	X-RAY DIFFRACTION	9	(chain A and resid 124:131)
10	X-RAY DIFFRACTION	10	(chain A and resid 132:140)
11	X-RAY DIFFRACTION	11	(chain A and resid 141:144)
12	X-RAY DIFFRACTION	12	(chain A and resid 145:156)
13	X-RAY DIFFRACTION	13	(chain A and resid 157:167)
14	X-RAY DIFFRACTION	14	(chain A and resid 168:174)
15	X-RAY DIFFRACTION	15	(chain A and resid 175:181)
16	X-RAY DIFFRACTION	16	(chain A and resid 182:185)
17	X-RAY DIFFRACTION	17	(chain A and resid 186:197)
18	X-RAY DIFFRACTION	18	(chain A and resid 198:204)
19	X-RAY DIFFRACTION	19	(chain A and resid 205:213)
20	X-RAY DIFFRACTION	20	(chain A and resid 214:222)
21	X-RAY DIFFRACTION	21	(chain B and resid 6:11)
22	X-RAY DIFFRACTION	22	(chain B and resid 12:23)
23	X-RAY DIFFRACTION	23	(chain B and resid 24:28)
24	X-RAY DIFFRACTION	24	(chain B and resid 29:52)
25	X-RAY DIFFRACTION	25	(chain B and resid 53:69)
26	X-RAY DIFFRACTION	26	(chain B and resid 70:75)
27	X-RAY DIFFRACTION	27	(chain B and resid 76:90)
28	X-RAY DIFFRACTION	28	(chain B and resid 91:113)
29	X-RAY DIFFRACTION	29	(chain B and resid 114:124)
30	X-RAY DIFFRACTION	30	(chain B and resid 125:134)
31	X-RAY DIFFRACTION	31	(chain B and resid 135:140)
32	X-RAY DIFFRACTION	32	(chain B and resid 141:144)
33	X-RAY DIFFRACTION	33	(chain B and resid 145:156)
34	X-RAY DIFFRACTION	34	(chain B and resid 157:160)
35	X-RAY DIFFRACTION	35	(chain B and resid 161:167)
36	X-RAY DIFFRACTION	36	(chain B and resid 168:177)
37	X-RAY DIFFRACTION	37	(chain B and resid 178:182)
38	X-RAY DIFFRACTION	38	(chain B and resid 183:205)
39	X-RAY DIFFRACTION	39	(chain B and resid 206:213)
40	X-RAY DIFFRACTION	40	(chain B and resid 214:222)

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