PDB-4x7f: Crystal structure of norovirus GII.10 P domain in complex with Nano-25

ID or keywords:

Entry

Database: PDB / ID: 4x7f

Title

Crystal structure of norovirus GII.10 P domain in complex with Nano-25

Components

Capsid protein
Nano-25 Nanobody

Keywords

VIRAL PROTEIN / Nanobody / VHH domain / Norovirus / Protruding domain

Function / homology

Function and homology information

Positive stranded ssRNA viruses / Nucleoplasmin-like/VP (viral coat and capsid proteins) / Positive stranded ssRNA viruses / Calicivirus coat protein C-terminal / Calicivirus coat protein C-terminal / Calicivirus coat protein / Calicivirus coat protein / Elongation Factor Tu (Ef-tu); domain 3 / Picornavirus/Calicivirus coat protein / Viral coat protein subunit ...
Similarity search - Domain/homology

Biological species

Norwalk virus

Vicugna pacos (alpaca)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.7 Å

Authors

Koromyslova, A.D. / Hansman, G.S.

Citation

Journal: J.Virol. / Year: 2015
Title: Nanobody binding to a conserved epitope promotes norovirus particle disassembly.
Authors: Koromyslova, A.D. / Hansman, G.S.

History

Deposition	Dec 9, 2014	Deposition site: RCSB / Processing site: PDBE
Revision 1.0	Dec 31, 2014	Provider: repository / Type: Initial release
Revision 1.1	Jan 14, 2015	Group: Database references
Revision 1.2	Feb 18, 2015	Group: Database references
Revision 1.3	Apr 10, 2019	Group: Data collection / Source and taxonomy / Category: entity_src_gen Item: _entity_src_gen.pdbx_host_org_cell_line / _entity_src_gen.pdbx_host_org_variant
Revision 1.4	Jan 10, 2024	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / diffrn_radiation_wavelength / pdbx_initial_refinement_model / struct_ncs_dom_lim Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _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

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4x7f.cif.gz	347.7 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	4x7f_validation.pdf.gz	484.4 KB	Display	wwPDB validaton report
Full document	4x7f_full_validation.pdf.gz	488.2 KB	Display
Data in XML	4x7f_validation.xml.gz	35.4 KB	Display
Data in CIF	4x7f_validation.cif.gz	51.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/x7/4x7f ftp://data.pdbj.org/pub/pdb/validation_reports/x7/4x7f	HTTPS FTP

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Related structure data

Related structure data	4x7cC 4x7dC 4x7eC 3onuS 3p0gS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	5axm-d 5e84-4 5e84-1 5tjw-d 5e84-2 30505 1e9y-d 5e84-6 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
Related items in Molecule of the Month	#136 - Apr 2011 Nanobodies similarity (1) #21 - Sep 2001 Antibodies similarity (1) #256 - Apr 2021 SARS-CoV-2 Spike and Antibodies similarity (1) #156 - Dec 2012 ABO Blood Type Glycosyltransferases similarity (4) #134 - Feb 2011 Integrin similarity (1) #172 - Apr 2014 RecA and Rad51 similarity (1) #194 - Feb 2016 Designer Insulins similarity (1) #234 - Jun 2019 MDM2 and Cancer similarity (1) #259 - Jul 2021 Designed Proteins and Citizen Science similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#136 - Apr 2011
Nanobodies
similarity (1)
#21 - Sep 2001
Antibodies
similarity (1)
#256 - Apr 2021
SARS-CoV-2 Spike and Antibodies
similarity (1)
#156 - Dec 2012
ABO Blood Type Glycosyltransferases
similarity (4)
#134 - Feb 2011
Integrin
similarity (1)
#172 - Apr 2014
RecA and Rad51
similarity (1)
#194 - Feb 2016
Designer Insulins
similarity (1)
#234 - Jun 2019
MDM2 and Cancer
similarity (1)
#259 - Jul 2021
Designed Proteins and Citizen Science
similarity (1)

Deposited unit

A: Capsid protein

B: Capsid protein

C: Nano-25 Nanobody

D: Nano-25 Nanobody

hetero molecules

97 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)	49.280, 112.980, 142.890
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	19
Space group name H-M	P2₁2₁2₁

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	chain A
2	1	chain B
1	2	chain C
2	2	chain D

NCS domain segments:

Component-ID: 1

Dom-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	LYS	LYS	MET	MET	chain A	A	A	225 - 538	2 - 315
2	1	SER	SER	MET	MET	chain B	B	B	224 - 538	1 - 315
1	2	ASP	ASP	HIS	HIS	chain C	C	C	1 - 114	1 - 114
2	2	ASP	ASP	SER	SER	chain D	D	D	1 - 112	1 - 112

NCS ensembles :

ID
1
2

Details

The biological unit is a dimer. There is 1 biological unit in the asymmetric unit (chains A & B)

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Protein / Antibody , 2 types, 4 molecules ABCD

#1: Protein	Capsid protein Mass: 34506.660 Da / Num. of mol.: 2 / Fragment: VHH, UNP residues 224-538 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Norwalk virus / Plasmid: pMBP / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q5F4T5
#2: Antibody	Nano-25 Nanobody Mass: 13158.593 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Vicugna pacos (alpaca) / Plasmid: pHEN6C / Production host: Escherichia coli (E. coli) / Variant (production host): WK6

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Non-polymers , 5 types, 491 molecules

#3: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Na
#4: Chemical	... ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 23 / Source method: obtained synthetically / Formula: C₂H₆O₂
#5: Chemical	ChemComp-PO4 / PHOSPHATE ION Mass: 94.971 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: PO₄
#6: Chemical	ChemComp-IMD / IMIDAZOLE Mass: 69.085 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₃H₅N₂
#7: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 464 / 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: 2.02 Å³/Da / Density % sol: 39.11 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 6.5 / Details: PEG3350, ammonium dihydrogen phosphate

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

ESRF

/ Beamline: ID23-1 / Wavelength: 0.984 Å

Detector

Type: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Sep 9, 2013

Radiation

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

Radiation wavelength

Wavelength: 0.984 Å / Relative weight: 1

Reflection

Resolution: 1.7→46.59 Å / Num. obs: 88133 / % possible obs: 99.1 % / Observed criterion σ(I): -3 / Redundancy: 4.7 % / B_iso Wilson estimate: 24.11 Å² / R_merge F obs: 0.997 / R_merge(I) obs: 0.056 / R_rim(I) all: 0.067 / Χ²: 0.988 / Net I/σ(I): 14.33 / Num. measured all: 412753

Reflection shell

Diffraction-ID: 1 / Rejects: _

Resolution (Å)	Highest resolution (Å)	Redundancy (%)	R_merge F obs	R_merge(I) obs	Mean I/σ(I) obs	Num. measured obs	Num. possible	Num. unique obs	R_rim(I) all	% possible all
1.7-1.8		3.6	0.751	0.355	2.58	20755	12512	11178	0.487	96.8
1.74-1.79			0.863	0.297	2.42	28349	12289	11999	0.374	97.6
1.79-1.84			0.903	0.243	3.31	30760	11878	11731	0.3	98.8
1.84-1.9			0.938	0.194	4.14	30044	11678	11519	0.24	98.6
1.9-1.96			0.963	0.149	5.32	28486	11178	11024	0.184	98.6
1.96-2.03			0.974	0.119	6.43	26025	10868	10680	0.149	98.3
2.03-2.11			0.979	0.106	7.98	26748	10416	10241	0.13	98.3
2.11-2.19			0.982	0.096	9.18	26668	10162	10002	0.117	98.4
2.19-2.29			0.986	0.085	10.31	24685	9619	9423	0.104	98
2.29-2.4			0.988	0.077	11.36	22971	9247	9028	0.095	97.6
2.4-2.53			0.989	0.071	12.14	21026	8777	8545	0.088	97.4
2.53-2.69			0.992	0.065	13.92	21667	8358	8171	0.08	97.8
2.69-2.87			0.992	0.06	15.27	19823	7822	7666	0.074	98
2.87-3.1			0.994	0.053	16.52	17711	7288	7147	0.065	98.1
3.1-3.4			0.993	0.048	17.76	15581	6686	6548	0.06	97.9
3.4-3.8			0.995	0.044	19.48	14832	6056	5909	0.054	97.6
3.8-4.39			0.995	0.042	19.82	12683	5327	5263	0.052	98.8
4.39-5.37			0.995	0.039	19.91	10418	4514	4405	0.049	97.6
5.37-7.6			0.997	0.036	20.82	8806	3476	3319	0.044	95.5
	7.6		0.997	0.031	20.82	4715	1921	1891	0.038	98.4

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Processing

Software

Name	Version	Classification
XDS		data reduction
PHENIX		refinement
PDB_EXTRACT	3.15	data extraction
XSCALE		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: As search models for molecular replacement PDB code 3ONU was used for GII.10 P domain (molecule 1) and PDB code 3P0G for Nano-25 (molecule 2)

3onu

3p0g

Resolution: 1.7→46.587 Å / SU ML: 0.18 / Cross valid method: FREE R-VALUE / σ(F): 1.09 / Phase error: 17.47 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.1868	8313	5.02 %
R_work	0.1599	157298	-
obs	0.1612	88133	97.44 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso max: 94.62 Å² / B_iso mean: 32.6161 Å² / B_iso min: 13.2 Å²

Refinement step

Cycle: final / Resolution: 1.7→46.587 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	6330	0	108	464	6902
B_iso mean	-	-	42.22	38.57	-
Num. residues	-	-	-	-	836

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.01	6614
X-RAY DIFFRACTION	f_angle_d	1.191	8997
X-RAY DIFFRACTION	f_chiral_restr	0.06	1001
X-RAY DIFFRACTION	f_plane_restr	0.007	1182
X-RAY DIFFRACTION	f_dihedral_angle_d	12.468	2323

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Rms	Type
1	1	A	2724	X-RAY DIFFRACTION	5.986	TORSIONAL
1	2	B	2724	X-RAY DIFFRACTION	5.986	TORSIONAL
2	1	C	936	X-RAY DIFFRACTION	5.986	TORSIONAL
2	2	D	936	X-RAY DIFFRACTION	5.986	TORSIONAL

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 (%)
1.6984-1.7177	0.2919	231	0.2763	4407	X-RAY DIFFRACTION	83
1.7177-1.7379	0.2851	275	0.2549	5116	X-RAY DIFFRACTION	95
1.7379-1.7591	0.2773	276	0.2382	5195	X-RAY DIFFRACTION	96
1.7591-1.7814	0.2591	274	0.2189	5223	X-RAY DIFFRACTION	98
1.7814-1.8048	0.2516	285	0.2052	5351	X-RAY DIFFRACTION	99
1.8048-1.8296	0.2059	278	0.1813	5328	X-RAY DIFFRACTION	99
1.8296-1.8557	0.2203	279	0.1809	5267	X-RAY DIFFRACTION	99
1.8557-1.8834	0.2132	283	0.1691	5335	X-RAY DIFFRACTION	99
1.8834-1.9128	0.1863	279	0.1689	5287	X-RAY DIFFRACTION	98
1.9128-1.9442	0.2074	280	0.162	5311	X-RAY DIFFRACTION	99
1.9442-1.9777	0.2073	286	0.1649	5342	X-RAY DIFFRACTION	98
1.9777-2.0137	0.1775	270	0.1589	5242	X-RAY DIFFRACTION	98
2.0137-2.0524	0.1922	285	0.1531	5370	X-RAY DIFFRACTION	98
2.0524-2.0943	0.188	279	0.1566	5241	X-RAY DIFFRACTION	98
2.0943-2.1398	0.1928	278	0.1559	5344	X-RAY DIFFRACTION	99
2.1398-2.1896	0.1929	274	0.152	5236	X-RAY DIFFRACTION	98
2.1896-2.2444	0.1724	280	0.1559	5333	X-RAY DIFFRACTION	98
2.2444-2.3051	0.1761	275	0.156	5237	X-RAY DIFFRACTION	98
2.3051-2.3729	0.1949	276	0.1556	5249	X-RAY DIFFRACTION	98
2.3729-2.4495	0.1877	274	0.1562	5254	X-RAY DIFFRACTION	97
2.4495-2.537	0.1874	274	0.1578	5230	X-RAY DIFFRACTION	98
2.537-2.6386	0.2054	277	0.1577	5276	X-RAY DIFFRACTION	98
2.6386-2.7587	0.1951	281	0.1559	5264	X-RAY DIFFRACTION	98
2.7587-2.9041	0.1999	282	0.1607	5310	X-RAY DIFFRACTION	98
2.9041-3.086	0.2028	280	0.1586	5272	X-RAY DIFFRACTION	98
3.086-3.3242	0.1759	278	0.156	5252	X-RAY DIFFRACTION	98
3.3242-3.6586	0.1651	276	0.1465	5241	X-RAY DIFFRACTION	98
3.6586-4.1877	0.1536	281	0.1454	5324	X-RAY DIFFRACTION	98
4.1877-5.2749	0.1508	285	0.1401	5262	X-RAY DIFFRACTION	98
5.2749-46.6047	0.2097	282	0.1829	5199	X-RAY DIFFRACTION	97

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	1.4665	-0.5309	-0.2817	1.4668	-0.5618	1.7263	0.0219	-0.2661	0.0271	0.0534	0.0407	0.0639	-0.1072	0.123	-0.0587	0.1235	-0.0379	-0.0042	0.1921	-0.0112	0.1364	3.682	-4.6621	-21.8344
2	1.3077	-0.1569	0.1833	0.8426	-0.6537	2.2858	0.0544	-0.1075	0.1989	0.1291	0.0431	0.1043	-0.5627	-0.0731	-0.0699	0.2658	0.0112	0.0611	0.1332	-0.0337	0.2053	-2.6854	9.5125	-26.6297
3	1.8728	-1.2735	-1.2173	1.9357	0.3441	2.5519	0.2353	-0.5447	0.1229	0.6368	-0.117	0.3207	-0.4441	-0.0979	-0.066	0.2794	-0.0124	0.045	0.3487	-0.0153	0.2108	1.5508	-1.9688	-10.7192
4	1.0711	-0.1072	-0.3129	0.9186	-0.7122	1.7399	0.0307	-0.3692	-0.0593	0.0542	-0.0635	-0.1877	-0.0441	0.398	0.0125	0.1372	-0.0308	-0.0201	0.3226	0.0379	0.1677	14.7539	-8.6294	-19.586
5	5.0832	2.5531	-1.5171	2.5323	-1.1647	2.325	-0.0106	-0.3016	-0.3685	-0.3585	-0.3141	-0.3402	0.2824	0.9411	0.3034	0.3117	0.0716	0.0245	0.5048	0.1331	0.3364	21.3422	-23.9847	-22.619
6	2.53	0.1759	-0.4954	2.1037	-0.1519	1.5993	-0.0654	-0.0322	-0.0684	0.108	-0.1151	-0.3699	0.026	0.9093	0.0732	0.1582	-0.0381	-0.0363	0.5833	0.1291	0.2451	23.5536	-15.2886	-17.4735
7	1.8785	0.4881	0.6284	2.3017	-1.917	4.341	0.2154	-0.3659	-0.3284	-0.138	-0.167	-0.2454	0.4084	0.7263	-0.0422	0.2455	0.0788	0.0239	0.4877	0.1114	0.3194	22.5102	-24.6564	-16.3733
8	2.0685	0.1115	-0.5642	1.0342	0.8556	2.0077	0.0322	0.0186	0.0326	-0.1279	-0.0326	0.037	0.0377	-0.0552	-0.003	0.1951	-0	-0.0062	0.1179	0.0115	0.1628	2.907	-11.0003	-45.6493
9	1.6911	1.1238	-0.155	4.3229	-0.1275	1.2098	0.1	-0.1231	0.1185	-0.095	-0.033	-0.1357	-0.1828	0.267	-0.0974	0.1587	-0.0405	0.0215	0.182	-0.0031	0.1977	17.0882	-3.073	-41.6886
10	1.4268	0.7342	-0.0211	2.9197	-0.0174	2.5236	0.1222	0.0995	0.2657	-0.0767	-0.1104	-0.4185	-0.4987	0.3507	-0.0467	0.289	-0.1129	0.0732	0.3269	-0.0242	0.3866	22.7162	7.4535	-41.3893
11	1.0172	0.0985	-0.4495	1.5872	0.5288	2.1757	0.2472	-0.2025	0.2019	-0.0757	-0.0877	-0.2862	-0.5519	0.3825	-0.1013	0.2946	-0.1058	0.0655	0.2003	-0.0202	0.2546	16.7447	7.8188	-41.5247
12	1.6771	0.3316	-0.2694	1.5936	-0.2027	1.467	0.2268	-0.0617	0.3195	-0.2128	-0.0821	-0.2157	-0.5487	0.1887	-0.07	0.3224	-0.0581	0.0883	0.1335	-0.0136	0.2545	12.4406	8.0134	-46.2111
13	0.8727	0.231	-0.3187	0.4097	0.5978	1.2576	0.0586	0.0354	-0.0363	-0.0502	-0.036	0.0391	-0.0081	-0.0587	-0.0405	0.197	-0.0087	-0.0011	0.1261	-0.0018	0.1848	2.8183	-9.0994	-47.0485
14	4.2137	-1.2154	0.4247	3.7631	0.2049	2.4849	-0.0919	-0.1732	-0.1783	0.1288	0.0152	0.4097	0.1425	-0.3205	0.0816	0.2291	-0.0198	-0.007	0.1633	-0.0124	0.2251	-2.2092	-20.5596	-47.9641
15	1.1832	-0.3082	-0.1957	0.8795	0.8561	2.4251	-0.1345	0.04	-0.1086	0.0374	0.0531	0.0476	0.4124	-0.1861	0.0659	0.2848	-0.0372	0.0096	0.179	0.0008	0.2545	-1.3906	-25.785	-51.3771
16	4.1957	-2.4714	2.4507	4.8296	-1.3082	5.888	-0.1645	-0.2533	-0.0133	-0.0437	0.0249	-0.211	-0.5064	0.3242	0.1577	0.4295	0.0503	-0.1239	0.7348	-0.0344	0.3998	10.7543	-11.5779	6.5807
17	1.8656	-1.6737	1.1959	1.6939	-0.4719	2.0495	-0.1903	-0.5326	-0.2854	0.4402	0.4248	0.2377	-0.2159	-0.554	-0.1253	0.353	0.0769	0.0216	0.8049	0.2507	0.3956	11.69	-26.6286	15.2275
18	3.0626	1.0352	0.7792	7.1481	5.3087	3.9571	-0.1977	-0.0822	0.1718	0.3176	0.0889	0.3433	-0.1158	-0.0048	0.1072	0.2746	0.0639	0.0183	0.4227	0.09	0.238	4.3983	-14.009	-2.2081
19	7.6565	-2.5091	3.9967	4.0084	-2.9239	7.9853	0.3417	0.0647	0.2208	0.0809	-0.4647	-0.1726	0.0053	0.3449	0.0191	0.2721	-0.0721	-0.0552	0.4785	0.1149	0.2289	15.8619	-21.187	3.0679
20	3.7929	1.1253	1.9001	3.2571	1.4233	3.6032	0.1804	0.0546	-0.149	0.1394	-0.0952	-0.6353	-0.0326	0.881	-0.037	0.1596	-0.0274	-0.2288	0.9002	0.3133	0.2008	20.5297	-22.873	3.3152
21	3.9523	-4.2313	1.1846	7.0438	-1.5385	1.2052	0.1855	0.4502	-0.1721	-0.9226	-0.135	0.9001	-0.1474	-0.0629	0.0156	0.4742	-0.0809	-0.2117	0.5146	0.1445	0.4575	8.328	-27.4247	-4.183
22	2.4324	-1.3478	0.6208	3.155	-0.4561	1.151	0.4277	-0.2393	-0.2631	-0.4329	-0.0175	0.4361	-0.0643	-0.3009	-0.3369	0.3199	-0.0205	-0.0501	0.5794	0.242	0.4563	9.1426	-28.0783	4.2124
23	3.4128	0.435	2.7219	1.6479	-1.077	4.0295	0.1839	-0.1357	-0.5454	0.0329	0.1793	0.0694	0.3256	0.0606	-0.2729	0.2834	-0.0605	-0.0384	0.7144	0.2282	0.33	14.4175	-29.4815	11.0551
24	0.6784	-1.0565	0.6115	1.7784	-1.2431	1.6128	-0.2334	-0.2939	-0.0125	0.5273	0.2455	-0.0854	-0.4796	-0.2235	0.0297	0.3422	0.0133	-0.0872	0.6659	0.0765	0.2808	17.8267	-19.0291	9.7463
25	2.9891	1.5863	1.4878	8.0518	3.2066	3.6368	-0.3392	0.7411	-0.1858	-0.3348	0.2055	-0.1571	-0.3444	-0.1709	0.1512	0.3798	-0.0946	0.0923	0.4309	-0.0679	0.2383	8.1274	-19.8707	-80.1418
26	5.6698	1.3348	-1.2966	3.3453	-3.2288	3.1407	0.1726	-0.1026	0.6249	-0.0559	0.1164	-0.1041	-0.9092	0.6139	-0.2486	0.3931	-0.0789	0.0349	0.3157	-0.0808	0.3194	13.2672	-11.1287	-64.459
27	5.0129	1.0661	1.5855	3.2372	0.7809	4.1861	-0.2075	0.2276	0.0969	-0.2867	0.0367	0.3116	-0.1174	-0.4229	0.1364	0.2187	-0.0171	-0.0066	0.2139	-0.0298	0.173	1.4071	-21.6066	-70.5187
28	5.7793	0.647	1.0385	2.812	0.8501	5.1951	-0.2294	-0.3353	-0.4232	0.2859	0.1105	-0.0857	0.4738	0.2694	0.1232	0.2993	0.0189	0.0695	0.2049	-0.0277	0.3468	10.533	-27.2437	-68.519
29	2.997	0.0687	0.0887	2.2084	0.6751	4.056	-0.2347	0.6406	-0.278	-0.2815	0.0439	-0.0244	-0.1565	-0.2894	0.1594	0.2578	-0.0493	0.0437	0.3193	-0.0667	0.2029	5.0808	-20.8015	-76.1196

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 225 through 332 )	A
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 333 through 406 )	A
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 407 through 427 )	A
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 428 through 472 )	A
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 473 through 492 )	A
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 493 through 521 )	A
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 522 through 538 )	A
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 224 through 265 )	B
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 266 through 294 )	B
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 298 through 317 )	B
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 318 through 379 )	B
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 380 through 426 )	B
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 427 through 472 )	B
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 473 through 520 )	B
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 521 through 538 )	B
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 1 through 7 )	C
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 8 through 24 )	C
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 25 through 32 )	C
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 33 through 39 )	C
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 40 through 52 )	C
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 53 through 59 )	C
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 60 through 76 )	C
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 77 through 90 )	C
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 91 through 114 )	C
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 1 through 24 )	D
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 25 through 32 )	D
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 33 through 52 )	D
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 53 through 72 )	D
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 73 through 112 )	D

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