PDB-3mq9: Crystal Structure of Ectodomain Mutant of BST-2/Tetherin/CD317 Fu...

ID or keywords:

Entry

Database: PDB / ID: 3mq9

Title

Crystal Structure of Ectodomain Mutant of BST-2/Tetherin/CD317 Fused to MBP

Components

Bone marrow stromal antigen 2 fused to Maltose-binding periplasmic protein

Keywords

ANTIVIRAL PROTEIN / HIV

Function / homology

Function and homology information

negative regulation of plasmacytoid dendritic cell cytokine production / negative regulation of intracellular transport of viral material / response to interferon-beta / response to interferon-alpha / metalloendopeptidase inhibitor activity / positive regulation of leukocyte proliferation / azurophil granule membrane / negative regulation of viral genome replication / detection of maltose stimulus / B cell activation ...
Similarity search - Function

Biological species

Escherichia coli (E. coli)

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.8 Å

Authors

Xiong, Y. / Yang, H. / Wang, J. / Meng, W.

Citation

Journal: Proc.Natl.Acad.Sci.USA / Year: 2010
Title: Structural insight into the mechanisms of enveloped virus tethering by tetherin.
Authors: Yang, H. / Wang, J. / Jia, X. / McNatt, M.W. / Zang, T. / Pan, B. / Meng, W. / Wang, H.W. / Bieniasz, P.D. / Xiong, Y.

History

Deposition	Apr 27, 2010	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Oct 27, 2010	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Version format compliance
Revision 1.2	Aug 16, 2017	Group: Refinement description / Source and taxonomy / Category: entity_src_gen / software
Revision 1.3	Sep 6, 2023	Group: Data collection / Database references ...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 / struct_conn / struct_ref_seq_dif Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag / _struct_ref_seq_dif.details
Revision 1.4	Nov 22, 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	3mq9.cif.gz	684.3 KB	Display	PDBx/mmCIF format
PDB format	pdb3mq9.ent.gz	572.6 KB	Display	PDB format
PDBx/mmJSON format	3mq9.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	3mq9_validation.pdf.gz	506.3 KB	Display	wwPDB validaton report
Full document	3mq9_full_validation.pdf.gz	586.3 KB	Display
Data in XML	3mq9_validation.xml.gz	122.3 KB	Display
Data in CIF	3mq9_validation.cif.gz	166.2 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/mq/3mq9 ftp://data.pdbj.org/pub/pdb/validation_reports/mq/3mq9	HTTPS FTP

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Related structure data

Related structure data	3mq7C 3mqbC 3mqcC 1pebS C: citing same article (ref.) S: Starting model for refinement
Similar structure data	3dxa-d 5813 2aen-d 6skz-d 4pl4-d 4lkg-d 2a74-d 4pl5-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

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#205 - Jan 2017 Nuclear Pore Complex similarity (6) #221 - May 2018 Human Papillomavirus and Vaccines similarity (6) #243 - Mar 2020 Voltage-gated Sodium Channels similarity (6) #163 - Jul 2013 HIV Capsid similarity (1)

Deposited unit

A: Bone marrow stromal antigen 2 fused to Maltose-binding periplasmic protein

B: Bone marrow stromal antigen 2 fused to Maltose-binding periplasmic protein

C: Bone marrow stromal antigen 2 fused to Maltose-binding periplasmic protein

D: Bone marrow stromal antigen 2 fused to Maltose-binding periplasmic protein

E: Bone marrow stromal antigen 2 fused to Maltose-binding periplasmic protein

F: Bone marrow stromal antigen 2 fused to Maltose-binding periplasmic protein

G: Bone marrow stromal antigen 2 fused to Maltose-binding periplasmic protein

H: Bone marrow stromal antigen 2 fused to Maltose-binding periplasmic protein

418 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Bone marrow stromal antigen 2 fused to Maltose-binding periplasmic protein

B: Bone marrow stromal antigen 2 fused to Maltose-binding periplasmic protein

C: Bone marrow stromal antigen 2 fused to Maltose-binding periplasmic protein

D: Bone marrow stromal antigen 2 fused to Maltose-binding periplasmic protein

defined by software
209 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

E: Bone marrow stromal antigen 2 fused to Maltose-binding periplasmic protein

F: Bone marrow stromal antigen 2 fused to Maltose-binding periplasmic protein

G: Bone marrow stromal antigen 2 fused to Maltose-binding periplasmic protein

H: Bone marrow stromal antigen 2 fused to Maltose-binding periplasmic protein

defined by software
209 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	94.502, 202.443, 107.277
Angle α, β, γ (deg.)	90.00, 90.41, 90.00
Int Tables number	4
Space group name H-M	P12₁1

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Refine code	Auth asym-ID	Auth seq-ID
1	1	1	2	A	1 - 367
2	1	1	2	B	1 - 367
3	1	1	2	E	1 - 367
4	1	1	2	F	1 - 367
1	1	2	2	A	375 - 406
2	1	2	2	B	375 - 406
3	1	2	2	E	375 - 406
4	1	2	2	F	375 - 406
1	1	3	2	A	407 - 429
2	1	3	2	B	407 - 429
3	1	3	2	E	407 - 429
4	1	3	2	F	407 - 429
1	1	4	2	A	430 - 457
2	1	4	2	B	430 - 457
3	1	4	2	E	430 - 457
4	1	4	2	F	430 - 457
1	1	5	4	C	1 - 367
2	1	5	4	D	1 - 367
3	1	5	4	G	1 - 367
4	1	5	4	H	1 - 367
1	1	6	4	C	375 - 406
2	1	6	4	D	375 - 406
3	1	6	4	G	375 - 406
4	1	6	4	H	375 - 406
1	1	7	4	C	407 - 429
2	1	7	4	D	407 - 429
3	1	7	4	G	407 - 429
4	1	7	4	H	407 - 429
1	1	8	4	C	430 - 457
2	1	8	4	D	430 - 457
3	1	8	4	G	430 - 457
4	1	8	4	H	430 - 457

NCS ensembles :

ID
1
2
3
4
5
6
7
8

Details

1

#1: Protein	Bone marrow stromal antigen 2 fused to Maltose-binding periplasmic protein / MMBP / Maltodextrin-binding protein / BST-2 / Tetherin / HM1.24 antigen Mass: 52193.426 Da / Num. of mol.: 8 Fragment: MBP residues 27-395 fused to BST-2 residues 66-139 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli), (gene. exp.) Homo sapiens (human) Strain: K12 / Gene: malE, b4034, JW3994, BST2 / Plasmid: pMAT9s / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) / References: UniProt: P0AEX9, UniProt: Q10589
#2: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 65 / Source method: isolated from a natural source / Formula: H₂O

#1: Protein

Bone marrow stromal antigen 2 fused to Maltose-binding periplasmic protein / MMBP / Maltodextrin-binding protein / BST-2 / Tetherin / HM1.24 antigen

Mass: 52193.426 Da / Num. of mol.: 8
Fragment: MBP residues 27-395 fused to BST-2 residues 66-139
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Escherichia coli (E. coli), (gene. exp.)

Homo sapiens (human)
Strain: K12 / Gene: malE, b4034, JW3994, BST2 / Plasmid: pMAT9s / Production host:

Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) / References: UniProt: P0AEX9, UniProt: Q10589

#2: Water

ChemComp-HOH / water

Mass: 18.015 Da / Num. of mol.: 65 / 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: 2.46 Å³/Da / Density % sol: 49.95 %
Crystal grow	Temperature: 298 K / Method: evaporation / pH: 5 Details: Crystals were grown at 25C by using microbatch under oil by mixing protein with crystallization buffer containing 100 mM sodium acetate (pH 5.0), 200 mM NaCl, 20% PEG 6000. Micro batch under ...Details: Crystals were grown at 25C by using microbatch under oil by mixing protein with crystallization buffer containing 100 mM sodium acetate (pH 5.0), 200 mM NaCl, 20% PEG 6000. Micro batch under oil, pH 5.0, EVAPORATION, temperature 298.0K

Crystal

Density Matthews: 2.46 Å³/Da / Density % sol: 49.95 %

Crystal grow

Temperature: 298 K / Method: evaporation / pH: 5
Details: Crystals were grown at 25C by using microbatch under oil by mixing protein with crystallization buffer containing 100 mM sodium acetate (pH 5.0), 200 mM NaCl, 20% PEG 6000. Micro batch under ...

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Data collection

Diffraction	Mean temperature: 110 K
Diffraction source	Source: SYNCHROTRON / Site: NSLS / Beamline: X29A / Wavelength: 1.0091 Å
Detector	Type: ADSC QUANTUM 315r / Detector: CCD / Date: Apr 1, 2010
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.0091 Å / Relative weight: 1
Reflection	Resolution: 2.8→42.47 Å / Num. obs: 94908 / % possible obs: 96 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 3.5 % / B_iso Wilson estimate: 27 Å² / R_merge(I) obs: 0.116 / R_sym value: 0.116 / Net I/σ(I): 11.6
Reflection shell	Resolution: 2.8→2.9 Å / R_merge(I) obs: 1 / Mean I/σ(I) obs: 1 / R_sym value: 1 / % possible all: 90.4

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Processing

Software

Name	Version	Classification
ADSC	Quantum	data collection
PHASER		phasing
REFMAC	5.5.0102	refinement
HKL-2000		data reduction
HKL-2000		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB Code:1PEB

1peb

Resolution: 2.8→42.47 Å / Cor.coef. F_o:F_c: 0.932 / Cor.coef. F_o:F_c free: 0.905 / SU B: 48.185 / SU ML: 0.419 / Cross valid method: THROUGHOUT / ESU R Free: 0.446 / Stereochemistry target values: MAXIMUM LIKELIHOOD

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2792	4743	5 %	RANDOM
R_work	0.23102	-	-	-
obs	0.23341	89821	100 %	-

Solvent computation

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

Displacement parameters

B_iso mean: 27.576 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-5.32 Å²	0 Å²	-0.9 Å²
2-	-	7.79 Å²	0 Å²
3-	-	-	-2.49 Å²

Refinement step

Cycle: LAST / Resolution: 2.8→42.47 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	28160	0	0	65	28225

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.012	0.022	28744
X-RAY DIFFRACTION	r_bond_other_d	0.002	0.02	19296
X-RAY DIFFRACTION	r_angle_refined_deg	1.274	1.961	38960
X-RAY DIFFRACTION	r_angle_other_deg	0.94	3	47424
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.867	5	3624
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	38.161	25.767	1304
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	19.255	15	4960
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	21.575	15	96
X-RAY DIFFRACTION	r_chiral_restr	0.071	0.2	4288
X-RAY DIFFRACTION	r_gen_planes_refined	0.005	0.021	32192
X-RAY DIFFRACTION	r_gen_planes_other	0.002	0.02	5376
X-RAY DIFFRACTION	r_mcbond_it	3.109	6	18056
X-RAY DIFFRACTION	r_mcbond_other	1.068	6	7352
X-RAY DIFFRACTION	r_mcangle_it	4.994	9	28872
X-RAY DIFFRACTION	r_scbond_it	5.373	9	10688
X-RAY DIFFRACTION	r_scangle_it	8.127	12	10088

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	2133	TIGHT POSITIONAL	0.03	0.05
1	2	B	2133	TIGHT POSITIONAL	0.04	0.05
1	3	E	2133	TIGHT POSITIONAL	0.03	0.05
1	4	F	2133	TIGHT POSITIONAL	0.03	0.05
1	1	A	2642	MEDIUM POSITIONAL	0.03	0.15
1	2	B	2642	MEDIUM POSITIONAL	0.04	0.15
1	3	E	2642	MEDIUM POSITIONAL	0.03	0.15
1	4	F	2642	MEDIUM POSITIONAL	0.03	0.15
1	1	A	2133	TIGHT THERMAL	1.28	2.5
1	2	B	2133	TIGHT THERMAL	1.44	2.5
1	3	E	2133	TIGHT THERMAL	1.27	2.5
1	4	F	2133	TIGHT THERMAL	1.03	2.5
1	1	A	2642	MEDIUM THERMAL	1.18	7.5
1	2	B	2642	MEDIUM THERMAL	1.29	7.5
1	3	E	2642	MEDIUM THERMAL	1.14	7.5
1	4	F	2642	MEDIUM THERMAL	0.98	7.5
2	1	A	191	TIGHT POSITIONAL	0.03	0.05
2	2	B	191	TIGHT POSITIONAL	0.03	0.05
2	3	E	191	TIGHT POSITIONAL	0.03	0.05
2	4	F	191	TIGHT POSITIONAL	0.03	0.05
2	1	A	229	MEDIUM POSITIONAL	0.03	0.15
2	2	B	229	MEDIUM POSITIONAL	0.03	0.15
2	3	E	229	MEDIUM POSITIONAL	0.02	0.15
2	4	F	229	MEDIUM POSITIONAL	0.02	0.15
2	1	A	191	TIGHT THERMAL	1.3	2.5
2	2	B	191	TIGHT THERMAL	1.11	2.5
2	3	E	191	TIGHT THERMAL	0.91	2.5
2	4	F	191	TIGHT THERMAL	0.96	2.5
2	1	A	229	MEDIUM THERMAL	1.08	7.5
2	2	B	229	MEDIUM THERMAL	1.02	7.5
2	3	E	229	MEDIUM THERMAL	0.84	7.5
2	4	F	229	MEDIUM THERMAL	0.8	7.5
3	1	A	137	TIGHT POSITIONAL	0.04	0.05
3	2	B	137	TIGHT POSITIONAL	0.03	0.05
3	3	E	137	TIGHT POSITIONAL	0.04	0.05
3	4	F	137	TIGHT POSITIONAL	0.05	0.05
3	1	A	129	MEDIUM POSITIONAL	0.04	0.15
3	2	B	129	MEDIUM POSITIONAL	0.04	0.15
3	3	E	129	MEDIUM POSITIONAL	0.04	0.15
3	4	F	129	MEDIUM POSITIONAL	0.04	0.15
3	1	A	137	TIGHT THERMAL	1.77	2.5
3	2	B	137	TIGHT THERMAL	1.25	2.5
3	3	E	137	TIGHT THERMAL	1.36	2.5
3	4	F	137	TIGHT THERMAL	1.37	2.5
3	1	A	129	MEDIUM THERMAL	1.61	7.5
3	2	B	129	MEDIUM THERMAL	1.29	7.5
3	3	E	129	MEDIUM THERMAL	1.12	7.5
3	4	F	129	MEDIUM THERMAL	1.15	7.5
4	1	A	167	TIGHT POSITIONAL	0.03	0.05
4	2	B	167	TIGHT POSITIONAL	0.04	0.05
4	3	E	167	TIGHT POSITIONAL	0.03	0.05
4	4	F	167	TIGHT POSITIONAL	0.03	0.05
4	1	A	224	MEDIUM POSITIONAL	0.03	0.15
4	2	B	224	MEDIUM POSITIONAL	0.03	0.15
4	3	E	224	MEDIUM POSITIONAL	0.02	0.15
4	4	F	224	MEDIUM POSITIONAL	0.03	0.15
4	1	A	167	TIGHT THERMAL	1.43	2.5
4	2	B	167	TIGHT THERMAL	1.14	2.5
4	3	E	167	TIGHT THERMAL	0.99	2.5
4	4	F	167	TIGHT THERMAL	1.44	2.5
4	1	A	224	MEDIUM THERMAL	0.96	7.5
4	2	B	224	MEDIUM THERMAL	0.94	7.5
4	3	E	224	MEDIUM THERMAL	0.79	7.5
4	4	F	224	MEDIUM THERMAL	0.91	7.5
5	1	C	4775	MEDIUM POSITIONAL	0.13	0.15
5	2	D	4775	MEDIUM POSITIONAL	0.12	0.15
5	3	G	4775	MEDIUM POSITIONAL	0.11	0.15
5	4	H	4775	MEDIUM POSITIONAL	0.12	0.15
5	1	C	4775	MEDIUM THERMAL	3.41	7.5
5	2	D	4775	MEDIUM THERMAL	3.01	7.5
5	3	G	4775	MEDIUM THERMAL	2.38	7.5
5	4	H	4775	MEDIUM THERMAL	4.87	7.5
6	1	C	420	MEDIUM POSITIONAL	0.29	0.15
6	2	D	420	MEDIUM POSITIONAL	0.32	0.15
6	3	G	420	MEDIUM POSITIONAL	0.23	0.15
6	4	H	420	MEDIUM POSITIONAL	0.26	0.15
6	1	C	420	MEDIUM THERMAL	3.76	7.5
6	2	D	420	MEDIUM THERMAL	3.48	7.5
6	3	G	420	MEDIUM THERMAL	3.06	7.5
6	4	H	420	MEDIUM THERMAL	3.51	7.5
7	1	C	266	MEDIUM POSITIONAL	0.17	0.15
7	2	D	266	MEDIUM POSITIONAL	0.21	0.15
7	3	G	266	MEDIUM POSITIONAL	0.28	0.15
7	4	H	266	MEDIUM POSITIONAL	0.18	0.15
7	1	C	266	MEDIUM THERMAL	3.55	7.5
7	2	D	266	MEDIUM THERMAL	3.89	7.5
7	3	G	266	MEDIUM THERMAL	4.89	7.5
7	4	H	266	MEDIUM THERMAL	4.01	7.5
8	1	C	391	MEDIUM POSITIONAL	0.18	0.15
8	2	D	391	MEDIUM POSITIONAL	0.28	0.15
8	3	G	391	MEDIUM POSITIONAL	0.15	0.15
8	4	H	391	MEDIUM POSITIONAL	0.2	0.15
8	1	C	391	MEDIUM THERMAL	3.08	7.5
8	2	D	391	MEDIUM THERMAL	2.92	7.5
8	3	G	391	MEDIUM THERMAL	2.93	7.5
8	4	H	391	MEDIUM THERMAL	3.37	7.5

LS refinement shell

Resolution: 2.8→2.873 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.37	297	-
R_work	0.328	6075	-
obs	-	-	100 %

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	3.169	-0.0813	-0.8492	2.4938	0.5409	3.9159	0.1987	-0.2711	0.3676	-0.0127	-0.0113	-0.1925	-0.3805	-0.196	-0.1874	0.3733	0.0422	0.1448	0.062	-0.0686	0.2911	43.557	45.137	43.612
2	1.8792	0.1292	-1.3399	1.5149	0.1995	1.6151	0.0325	0.2041	0.1179	-0.25	-0.0337	-0.0342	0.1941	-0.6024	0.0012	0.5727	-0.0007	0.1322	0.4401	0.0022	0.2761	28.831	23.796	29.625
3	0.4361	-0.6324	0.0182	1.1335	0.5928	1.9354	-0.042	0.0146	-0.081	-0.1062	0.0843	0.0632	-0.5792	0.4122	-0.0423	0.5236	-0.0761	0.1669	0.2046	0.0181	0.3072	-5.893	28.989	85.925
4	21.0895	-11.7442	-14.2664	15.0302	6.6964	13.7433	0.2676	-0.3391	-1.0649	-0.705	-0.0688	0.8436	-1.0742	0.467	-0.1988	0.6965	0.0511	0.3006	0.0551	0.0262	0.4587	-55.269	46.242	124.177
5	3.2219	1.0331	-1.1389	3.0935	0.4351	3.7782	0.1275	-0.1401	0.2495	-0.0719	-0.0276	-0.1641	-0.8326	0.9847	-0.1	0.5039	-0.1524	0.1116	0.366	0.0223	0.266	-7.014	29.904	121.937
6	0.7023	0.1047	0.0786	0.5521	-0.2467	2.6417	0.0645	-0.0535	0.0001	-0.1205	0.0463	-0.0274	-0.0776	-0.0378	-0.1107	0.4462	0.0671	0.12	0.0473	0.0477	0.377	-24.702	11.058	107.767
7	11.5909	0.0201	-10.0782	0.1033	-0.0269	8.7819	-0.2172	-0.7035	-0.2028	-0.0386	0.0191	-0.1123	0.2652	0.5551	0.1981	0.4844	-0.0098	0.1685	0.4684	0.0181	0.2186	23.149	21.9	62.935
8	36.882	-8.6687	-13.0272	6.099	3.2136	8.4758	0.951	-0.8962	-0.7795	-0.1685	-0.9309	0.1486	-0.35	1.2104	-0.02	0.4294	0.0449	0.0818	0.6159	0.0537	0.2598	76.408	9.87	28.09
9	6.0399	0.0333	2.1391	2.1322	0.4578	2.5955	-0.2467	-0.0288	0.5106	-0.0589	-0.1802	0.2372	-0.3136	0.2995	0.4269	0.4839	-0.0331	0.119	0.2522	0.0783	0.3454	-6.799	43.378	53.474
10	1.6979	0.2699	0.7321	0.1593	-0.2959	2.7776	-0.0616	-0.0696	0.2426	-0.0737	0.0333	-0.0098	-0.061	0.0403	0.0284	0.4891	0.1479	0.0526	0.2085	-0.0734	0.3494	-29.689	29.208	64.624
11	12.5203	-2.4782	-7.1483	0.5772	1.2635	5.232	0.0829	-0.03	-0.3966	-0.0346	-0.1032	0.0339	-0.1835	-0.0389	0.0203	0.5255	-0.0299	0.2279	0.2257	0.0612	0.4442	17.341	19.374	58.459
12	19.9415	-6.1794	-11.2745	9.1467	-1.5073	9.8505	0.6831	-0.8116	-0.1708	-0.265	-0.8836	-0.178	-0.2724	1.2429	0.2006	0.6777	0.1217	0.0111	0.35	0.0634	0.474	78.257	7.673	36.196
13	3.728	0.7728	0.6932	4.5202	-1.5992	9.2529	-0.2592	0.4297	0.5077	-0.2065	-0.7821	-0.5116	-0.4691	1.4044	1.0413	0.3692	0.1065	-0.0786	0.4598	0.3207	0.4395	39.567	34.127	88.272
14	2.4691	-0.3534	2.2066	2.8444	-0.7003	12.6543	0.3713	-0.2424	-0.3271	-0.389	-0.2349	0.2627	2.6407	-1.6458	-0.1364	1.0473	-0.2811	-0.0245	0.4614	-0.1013	0.2687	23.182	11.207	95.883
15	0.2029	0.1513	0.4113	0.895	-0.4147	1.5964	-0.1069	0.0481	0.0115	-0.0786	-0.0539	0.0643	-0.2791	0.1357	0.1607	0.6896	0.0854	0.1571	0.2134	-0.018	0.4421	-7.965	21.713	83.865
16	11.988	-13.075	1.887	14.5443	-2.073	0.3021	0.3158	-0.1647	-0.4507	-0.9937	-0.1584	0.3681	0.0651	-0.0022	-0.1574	1.4695	0.5343	0.4656	0.3593	0.0793	0.705	-53.426	52.847	119.348
17	3.6188	0.4999	1.9105	2.9084	-0.2505	4.1768	0.3758	0.811	-0.5942	-0.2707	0.0747	-0.3857	0.5052	0.1204	-0.4504	0.5768	0.0423	-0.1282	0.4165	-0.3422	0.594	78.977	-39.729	117.053
18	2.2862	0.4876	1.0347	1.1184	0.2183	1.9215	0.2368	0.2602	-0.1761	0.147	-0.0038	-0.0378	0.1802	-0.3056	-0.233	0.4951	-0.0268	-0.0393	0.2818	0.0146	0.3107	64.359	-18.533	131.403
19	9.063	0.4097	9.3354	0.0377	0.3899	9.8254	0.5788	0.5128	-0.3272	0.0001	-0.0769	0.048	1.0289	0.6364	-0.5019	1.0511	-0.014	-0.3194	0.6655	-0.1353	0.5458	31.026	-24.049	74.326
20	17.247	9.5532	6.1228	8.3887	6.0905	5.8804	1.0932	0.8166	0.4575	0.8804	-0.6814	0.5188	1.2081	0.04	-0.4118	0.9691	0.0428	-0.5161	0.9287	-0.3221	0.8958	-18.262	-41.029	36.183
21	4.9937	-0.4556	1.8315	2.2017	-0.1085	6.2078	0.1919	0.3637	-0.2367	0.1491	-0.3184	-0.1836	1.2377	1.0085	0.1265	0.6751	0.2007	-0.1347	0.7816	0.0772	0.4221	30.486	-26.164	37.601
22	3.929	-0.206	-0.4998	0.7064	0.3627	5.3556	0.1182	-0.0038	0.638	0.2179	-0.2633	0.0033	-0.3935	-0.5496	0.1451	0.6504	-0.0867	-0.1621	0.3726	-0.0356	0.6923	13.243	-6.436	51.093
23	16.1388	-0.4538	14.0627	0.748	-0.0846	12.6102	0.0306	1.1853	0.5036	-0.1523	-0.4297	-0.0312	0.3262	0.8318	0.3991	0.6163	0.0181	-0.0493	0.62	-0.0133	0.2083	59.495	-16.838	97.742
24	41.1769	7.3116	12.6379	2.1204	1.4229	6.1961	0.6704	-0.9462	0.8706	0.2597	-0.8467	-0.1144	0.1634	0.3255	0.1763	0.4527	-0.0604	-0.0608	0.778	0.1291	0.5007	113.125	-5.968	131.219
25	8.3877	1.8114	-2.6723	2.1301	-0.4282	4.0123	-0.8094	0.1634	-0.4328	0.1598	-0.3129	0.3407	0.1841	0.4458	1.1223	0.8619	-0.0518	-0.0081	0.9799	-0.0657	0.9504	28.881	-38.16	107.16
26	3.9669	-0.5793	-1.6652	0.7457	0.7034	4.7203	0.0595	0.1276	0.8463	-0.1724	0.3427	-0.0175	-0.4204	0.3622	-0.4022	0.9352	-0.3301	0.0358	1.0325	-0.4127	1.2856	6.634	-23.248	95.891
27	0.525	-0.1838	0.5424	1.0599	0.9588	2.4119	-0.0635	0.5498	0.4102	-0.1543	-0.4391	0.2032	0.2008	0.2553	0.5027	0.7819	-0.1175	-0.3127	0.7796	0.3378	0.6512	53.392	-14.255	102.021
28	4.4841	7.8129	-3.1708	13.6552	-5.4999	2.2817	0.1487	0.1286	0.3533	-0.0256	0.1347	0.4689	-0.1641	0.0321	-0.2834	0.7812	0.2144	0.2505	2.8129	0.6891	1.0303	114.553	-3.502	122.997
29	0.3068	0.8868	-0.905	6.234	-3.5715	9.2131	-0.3379	-0.1657	-0.2542	-0.2273	-0.9756	-0.8575	0.8661	0.8125	1.3135	0.5172	0.0841	0.2615	0.1824	0.2484	0.5596	76.521	-29.124	73.268
30	0.4271	0.2975	-0.7798	1.2341	-1.3279	10.202	-0.0246	0.1624	-0.1618	0.274	-0.035	-0.3524	-1.0853	-1.4642	0.0596	0.6557	0.1219	-0.0389	0.2882	0.0159	0.2737	60.064	-6.363	65.527
31	7.3453	2.8298	5.2834	1.1143	2.1594	4.9244	0.2856	-0.5805	-0.2687	0.1337	-0.2068	-0.0231	0.4796	-0.131	-0.0788	0.8695	-0.0764	-0.3049	0.555	-0.0809	0.5805	29.102	-16.39	76.215
32	24.9847	20.2312	11.6897	16.5834	10.0179	7.4475	0.6986	0.3012	-1.5225	1.0102	0.1573	-1.3009	1.4181	0.0312	-0.8559	1.0352	-0.208	-0.3414	0.0683	0.0744	1.0412	-16.56	-47.754	41.275

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	1 - 109
2	X-RAY DIFFRACTION	1	A	261 - 311
3	X-RAY DIFFRACTION	2	A	110 - 260
4	X-RAY DIFFRACTION	2	A	312 - 367
5	X-RAY DIFFRACTION	3	A	368 - 429
6	X-RAY DIFFRACTION	4	A	430 - 457
7	X-RAY DIFFRACTION	5	B	1 - 109
8	X-RAY DIFFRACTION	5	B	261 - 311
9	X-RAY DIFFRACTION	6	B	110 - 260
10	X-RAY DIFFRACTION	6	B	312 - 367
11	X-RAY DIFFRACTION	7	B	368 - 429
12	X-RAY DIFFRACTION	8	B	430 - 457
13	X-RAY DIFFRACTION	9	C	1 - 109
14	X-RAY DIFFRACTION	9	C	261 - 311
15	X-RAY DIFFRACTION	10	C	110 - 260
16	X-RAY DIFFRACTION	10	C	312 - 367
17	X-RAY DIFFRACTION	11	C	368 - 429
18	X-RAY DIFFRACTION	12	C	430 - 457
19	X-RAY DIFFRACTION	13	D	1 - 109
20	X-RAY DIFFRACTION	13	D	261 - 311
21	X-RAY DIFFRACTION	14	D	110 - 260
22	X-RAY DIFFRACTION	14	D	312 - 367
23	X-RAY DIFFRACTION	15	D	368 - 429
24	X-RAY DIFFRACTION	16	D	430 - 457
25	X-RAY DIFFRACTION	17	E	1 - 109
26	X-RAY DIFFRACTION	17	E	261 - 311
27	X-RAY DIFFRACTION	18	E	110 - 260
28	X-RAY DIFFRACTION	18	E	312 - 367
29	X-RAY DIFFRACTION	19	E	368 - 429
30	X-RAY DIFFRACTION	20	E	430 - 457
31	X-RAY DIFFRACTION	21	F	1 - 109
32	X-RAY DIFFRACTION	21	F	261 - 311
33	X-RAY DIFFRACTION	22	F	110 - 260
34	X-RAY DIFFRACTION	22	F	312 - 367
35	X-RAY DIFFRACTION	23	F	368 - 429
36	X-RAY DIFFRACTION	24	F	430 - 457
37	X-RAY DIFFRACTION	25	G	1 - 109
38	X-RAY DIFFRACTION	25	G	261 - 311
39	X-RAY DIFFRACTION	26	G	110 - 260
40	X-RAY DIFFRACTION	26	G	312 - 367
41	X-RAY DIFFRACTION	27	G	368 - 429
42	X-RAY DIFFRACTION	28	G	430 - 457
43	X-RAY DIFFRACTION	29	H	1 - 109
44	X-RAY DIFFRACTION	29	H	261 - 311
45	X-RAY DIFFRACTION	30	H	110 - 260
46	X-RAY DIFFRACTION	30	H	312 - 367
47	X-RAY DIFFRACTION	31	H	368 - 429
48	X-RAY DIFFRACTION	32	H	430 - 457

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