PDB-2pf6: Lutheran glycoprotein, N-terminal domains 1 and 2

ID or keywords:

Entry

Database: PDB / ID: 2pf6

Title

Lutheran glycoprotein, N-terminal domains 1 and 2

Components

Lutheran blood group glycoprotein

Keywords

CELL ADHESION / Immunoglobulin superfamily. Cell adhesion.

Function / homology

Function and homology information

laminin receptor activity / laminin binding / cell-matrix adhesion / transmembrane signaling receptor activity / : / angiogenesis / cell adhesion / external side of plasma membrane / signal transduction / extracellular exosome ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.2 Å

Authors

Burton, N. / Brady, R.L.

Citation

Journal: Blood / Year: 2007
Title: The Laminin 511/521-binding site on the Lutheran blood group glycoprotein is located at the flexible junction of Ig domains 2 and 3.
Authors: Mankelow, T.J. / Burton, N. / Stefansdottir, F.O. / Spring, F.A. / Parsons, S.F. / Pedersen, J.S. / Oliveira, C.L. / Lammie, D. / Wess, T. / Mohandas, N. / Chasis, J.A. / Brady, R.L. / Anstee, D.J.

History

Deposition	Apr 4, 2007	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Dec 4, 2007	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Version format compliance
Revision 1.2	Oct 18, 2017	Group: Refinement description / Category: software
Revision 1.3	Aug 30, 2023	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / 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.end_auth_comp_id
Revision 1.4	Oct 16, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	2pf6.cif.gz	105.9 KB	Display	PDBx/mmCIF format
PDB format	pdb2pf6.ent.gz	83.6 KB	Display	PDB format
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Validation report

Summary document	2pf6_validation.pdf.gz	432.4 KB	Display	wwPDB validaton report
Full document	2pf6_full_validation.pdf.gz	437.3 KB	Display
Data in XML	2pf6_validation.xml.gz	18.4 KB	Display
Data in CIF	2pf6_validation.cif.gz	25.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/pf/2pf6 ftp://data.pdbj.org/pub/pdb/validation_reports/pf/2pf6	HTTPS FTP

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Related structure data

Related structure data	2petSC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	2pet-d 6bbt-1 5a2f-d 4of5-1 5qu4-d 4ofv-1 4fs0-d 3zrx-d 1iam-d 3zcc-d 1d3l-d 2ill-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	#21 - Sep 2001 Antibodies similarity (1) #256 - Apr 2021 SARS-CoV-2 Spike and Antibodies similarity (1) #204 - Dec 2016 PD-1 similarity (2) #186 - Jun 2015 Receptor for Advanced Glycation End Products similarity (3) #247 - Jul 2020 Myelin-associated Glycoprotein similarity (3) #20 - Aug 2001 Poliovirus and Rhinovirus similarity (2) #231 - Mar 2019 Measles Virus Proteins similarity (2) #267 - Mar 2022 Vascular Endothelial Growth Factor (VegF similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#21 - Sep 2001
Antibodies
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SARS-CoV-2 Spike and Antibodies
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#204 - Dec 2016
PD-1
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#186 - Jun 2015
Receptor for Advanced Glycation End Products
similarity (3)
#247 - Jul 2020
Myelin-associated Glycoprotein
similarity (3)
#20 - Aug 2001
Poliovirus and Rhinovirus
similarity (2)
#231 - Mar 2019
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similarity (2)
#267 - Mar 2022
Vascular Endothelial Growth Factor (VegF
similarity (1)

Deposited unit

A: Lutheran blood group glycoprotein

B: Lutheran blood group glycoprotein

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

1

A: Lutheran blood group glycoprotein

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

2

B: Lutheran blood group glycoprotein

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

Unit cell

Length a, b, c (Å)	52.248, 52.248, 256.842
Angle α, β, γ (deg.)	90.000, 90.000, 120.000
Int Tables number	154
Space group name H-M	P3₂21

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	B
3	1	A
4	1	B
5	1	A
6	1	B
7	1	A
8	1	B
9	1	A
10	1	B
11	1	A
12	1	B
13	1	A
14	1	B

NCS domain segments:

Ens-ID: 1 / Refine code: 5

Dom-ID	Component-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	PRO	PRO	PHE	PHE	A	A	8 - 36	8 - 36
2	1	PRO	PRO	PHE	PHE	B	B	8 - 36	8 - 36
3	2	ARG	ARG	GLN	GLN	A	A	46 - 53	46 - 53
4	2	ARG	ARG	GLN	GLN	B	B	46 - 53	46 - 53
5	3	LEU	LEU	VAL	VAL	A	A	57 - 112	57 - 112
6	3	LEU	LEU	VAL	VAL	B	B	57 - 112	57 - 112
7	4	ALA	ALA	TRP	TRP	A	A	114 - 154	114 - 154
8	4	ALA	ALA	TRP	TRP	B	B	114 - 154	114 - 154
9	5	GLY	GLY	ARG	ARG	A	A	171 - 194	171 - 194
10	5	GLY	GLY	ARG	ARG	B	B	171 - 194	171 - 194
11	6	SER	SER	ALA	ALA	A	A	203 - 208	203 - 208
12	6	SER	SER	ALA	ALA	B	B	203 - 208	203 - 208
13	7	LEU	LEU	TYR	TYR	A	A	220 - 231	220 - 231
14	7	LEU	LEU	TYR	TYR	B	B	220 - 231	220 - 231

Details

Asymmetic unit conatins two copies of biological unit

#1: Antibody	Lutheran blood group glycoprotein / B-CAM cell surface glycoprotein / Auberger B antigen / F8/G253 antigen / CD239 antigen Mass: 25647.830 Da / Num. of mol.: 2 / Fragment: N-terminal domains 1 and 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: BCAM, LU, MSK19 / Plasmid: pEE / References: UniProt: P50895
#2: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 51 / 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: 1.97 Å³/Da / Density % sol: 37.62 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 5.6 Details: 18% PEG4000, 0.2M ammonium acetate, 0.1M sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SRS / Beamline: PX14.1 / Wavelength: 1.488 Å
Detector	Type: ADSC QUANTUM 4 / Detector: CCD / Date: Sep 28, 2006
Radiation	Monochromator: ASYMMETRIC CUT Si (111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.488 Å / Relative weight: 1
Reflection	Resolution: 2.2→100 Å / Num. all: 19830 / Num. obs: 19830 / % possible obs: 90.1 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Redundancy: 5.6 % / B_iso Wilson estimate: 45.6 Å² / R_merge(I) obs: 0.102 / Χ²: 1.165 / Net I/σ(I): 10
Reflection shell	Resolution: 2.2→2.28 Å / Redundancy: 1.8 % / R_merge(I) obs: 0.482 / Mean I/σ(I) obs: 1.2 / Num. unique all: 891 / Χ²: 0.633 / % possible all: 41.3

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Phasing

Phasing MR

	Highest resolution	Lowest resolution
Rotation	2.5 Å	44.56 Å
Translation	2.5 Å	44.56 Å

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Processing

Software

Name	Version	Classification
DENZO		data reduction
SCALEPACK		data scaling
PHASER		phasing
REFMAC	refmac_5.2.0019	refinement
PDB_EXTRACT	2	data extraction
HKL-2000		data collection
HKL-2000		data reduction
HKL-2000		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 2PET

2pet

Resolution: 2.2→85.75 Å / Cor.coef. F_o:F_c: 0.954 / Cor.coef. F_o:F_c free: 0.931 / WR_factor R_free: 0.241 / WR_factor R_work: 0.203 / SU B: 14.231 / SU ML: 0.185 / TLS residual ADP flag: LIKELY RESIDUAL / Isotropic thermal model: TLS / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.442 / ESU R Free: 0.255 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.251	1014	5.1 %	RANDOM
R_work	0.205	-	-	-
all	0.207	19755	-	-
obs	0.207	19755	90.11 %	-

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: 43.696 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	1.2 Å²	0.6 Å²	0 Å²
2-	-	1.2 Å²	0 Å²
3-	-	-	-1.8 Å²

Refine analyze

	Free	Obs
Luzzati coordinate error	0.255 Å	0.442 Å

Refinement step

Cycle: LAST / Resolution: 2.2→85.75 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3592	0	0	51	3643

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.018	0.021	3670
X-RAY DIFFRACTION	r_angle_refined_deg	1.498	1.965	4986
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	4.801	5	460
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	35.585	22.558	172
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	14.558	15	604
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	18.113	15	42
X-RAY DIFFRACTION	r_chiral_restr	0.085	0.2	552
X-RAY DIFFRACTION	r_gen_planes_refined	0.007	0.02	2834
X-RAY DIFFRACTION	r_nbd_refined	0.219	0.2	1327
X-RAY DIFFRACTION	r_nbtor_refined	0.306	0.2	2410
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.144	0.2	166
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.198	0.2	102
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.207	0.2	14
X-RAY DIFFRACTION	r_mcbond_it	1.237	1.5	2364
X-RAY DIFFRACTION	r_mcangle_it	1.561	2	3718
X-RAY DIFFRACTION	r_scbond_it	2.582	3	1451
X-RAY DIFFRACTION	r_scangle_it	3.884	4.5	1268

Refine LS restraints NCS

Dom-ID: 1 / Auth asym-ID: A / Ens-ID: 1 / Refine-ID: X-RAY DIFFRACTION

Number	Type	Rms dev position (Å)	Weight position
704	MEDIUM POSITIONAL	0.36	0.5
646	LOOSE POSITIONAL	0.64	5
704	MEDIUM THERMAL	3.07	2
646	LOOSE THERMAL	3.83	10

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
2.2-2.251	0.257	26	0.274	599	1564	39.962
2.251-2.313	0.456	54	0.278	830	1536	57.552
2.313-2.38	0.34	57	0.272	1094	1535	74.984
2.38-2.453	0.298	61	0.266	1250	1441	90.978
2.453-2.533	0.284	72	0.271	1286	1400	97
2.533-2.622	0.295	74	0.245	1324	1405	99.502
2.622-2.721	0.349	69	0.24	1255	1324	100
2.721-2.832	0.306	65	0.238	1207	1273	99.921
2.832-2.958	0.227	74	0.211	1146	1222	99.836
2.958-3.102	0.295	68	0.209	1123	1194	99.749
3.102-3.269	0.271	67	0.207	1080	1147	100
3.269-3.467	0.261	59	0.181	1019	1079	99.907
3.467-3.706	0.25	41	0.176	950	993	99.799
3.706-4.003	0.263	42	0.183	913	955	100
4.003-4.384	0.158	39	0.168	843	882	100
4.384-4.9	0.158	37	0.154	757	794	100
4.9-5.654	0.195	44	0.192	687	731	100
5.654-6.918	0.219	28	0.211	604	632	100
6.918-9.752	0.256	29	0.225	465	494	100
9.752-85.749	0.464	8	0.272	309	321	98.754

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	30.253	-4.4082	-9.2572	0.8168	2.0953	6.027	-0.8809	0.9975	0.2198	-0.1759	-0.099	-0.1359	-0.8522	0.6836	0.9799	0.0648	-0.0353	-0.081	0.0965	0.0553	0.2779	41.462	-4.4553	34.2832
2	10.0539	1.4424	0.5316	2.2759	1.5391	2.2035	-0.1557	0.4175	0.0135	-0.195	0.122	0.0185	-0.1175	0.0853	0.0338	0.161	-0.0145	0.0193	0.1888	0.0408	0.1126	29.9545	-7.0707	28.6012
3	15.2665	-1.466	-3.5181	3.3801	5.8772	10.2832	-0.3264	-0.6067	-0.8871	-0.1724	0.2893	-0.2614	0.5053	0.6763	0.0372	0.1549	-0.0048	-0.0039	0.0937	0.0014	0.1148	40.9086	-16.1563	34.7871
4	13.629	-10.0176	-13.5445	19.3363	16.2291	24.1016	-0.4912	-0.3986	0.7559	0.7669	0.3378	0.9101	-0.1044	-1.3298	0.1535	0.0325	0.0914	-0.0141	0.2801	0.0455	0.0972	25.1889	-9.5243	46.1871
5	1.2572	-0.493	1.9035	5.2699	1.5822	5.031	-0.1178	0.4615	-0.1223	-0.197	0.2941	-0.5734	0.1718	0.8479	-0.1763	0.0655	-0.0435	-0.0285	0.1544	-0.0458	0.1566	36.6934	-19.6458	35.0137
6	13.2784	0.3944	6.4227	0.2056	1.503	11.9878	0.0765	-0.8446	-0.1473	0.1989	-0.1709	0.3094	-0.0927	0.4069	0.0944	0.1782	-0.0566	-0.0382	0.0993	0.0216	0.1555	23.9251	-19.7604	39.0999
7	1.5374	0.5882	-0.9127	1.19	-1.8789	2.9668	-0.1775	0.0716	-0.1372	-0.0916	0.0847	0.1203	0.0481	-0.1486	0.0928	0.154	-0.0356	-0.0123	0.1207	-0.0049	0.1599	24.9986	-15.055	29.4935
8	6.7799	-1.1995	0.6946	2.4005	-0.9275	0.7025	0.0055	-0.1394	0.1178	-0.0216	0.0483	0.0223	-0.1541	-0.0428	-0.0537	0.187	0.0133	-0.011	0.2082	-0.0392	0.126	33.8263	-9.8224	38.3784
9	27.0574	-6.6589	9.5013	2.3061	-2.1112	3.4137	0.2831	-0.0356	0.4306	-0.0141	-0.2093	-0.0148	0.0678	-0.0224	-0.0738	0.1322	0.0276	0.0369	0.1963	0.0612	0.0951	20.0901	-3.2598	32.6317
10	10.3096	-1.0366	-4.9445	2.3999	4.241	8.4768	-0.0958	0.2266	0.1654	-0.0185	-0.2336	0.3472	-0.0924	-0.2678	0.3294	0.1259	-0.0249	-0.0225	0.148	0.0191	0.1362	-16.7074	9.6752	31.5958
11	10.3012	-1.286	-2.966	3.041	-0.5492	3.9084	-0.1709	0.309	-0.1379	0.3487	-0.1542	0.2677	-0.3765	-0.1432	0.325	0.1933	-0.0169	-0.0253	0.1981	-0.0169	0.1133	-10.5052	10.6208	34.5383
12	6.4547	-4.3269	2.7938	3.3989	-1.5526	1.4151	-0.0946	-0.0238	-0.0875	0.1323	-0.075	-0.1874	0.018	0.1177	0.1696	0.1091	0.0028	0.0412	0.202	0.0478	0.2051	3.5914	5.5097	30.8013
13	5.9446	1.0919	-4.085	0.2265	0.0914	30.1307	0.1687	0.299	0.3722	0.0453	-0.1256	-0.2018	-0.8191	0.6201	-0.0431	0.2094	-0.0037	-0.0394	0.0233	-0.001	0.2048	-3.2214	19.1818	27.5803
14	9.3542	8.3311	-0.1882	17.2873	-1.2717	4.4213	0.0009	-0.7522	-0.7652	1.3894	0.0903	0.5975	-0.6075	0.2977	-0.0912	0.3069	-0.0691	-0.0009	0.1062	-0.067	0.1457	-5.4917	20.2241	40.6465
15	5.8643	-6.616	-1.8106	12.2103	-0.408	1.9245	0.2014	-0.3853	-0.2275	-0.5189	-0.2013	-0.2427	0.3348	0.381	-0.0002	0.1423	-0.013	-0.0427	0.1964	0.0048	0.1351	1.9047	2.6891	39.5748
16	1.3588	-1.733	2.4693	2.4707	-3.3667	4.6688	0.3334	0.1171	-0.1074	-0.1406	-0.278	0.151	-0.1999	0.5152	-0.0554	0.1274	0.0215	0.0278	0.1722	0.0145	0.1837	1.8399	2.2492	35.7579
17	7.5802	-1.1526	0.8518	13.0841	-3.2071	13.6088	-0.1852	0.0058	1.2509	-0.4496	0.0789	0.1652	-0.9844	-0.7068	0.1063	0.118	-0.0178	0.019	0.1337	-0.0329	0.1554	-13.7773	19.3533	31.5326
18	18.6388	-11.7943	2.8083	12.6353	-1.4231	4.5896	-0.0644	0.5242	-0.0806	-0.1255	-0.0503	0.7042	-0.1736	-0.4879	0.1147	0.0867	-0.0224	0.0112	0.2014	-0.019	0.1944	-10.2304	13.9898	23.9318
19	34.0716	-9.1369	3.2912	3.0955	-0.4814	0.5673	-0.1142	1.2307	0.77	0.0747	-0.1994	-0.3921	-0.1915	0.2762	0.3136	0.0815	0.0033	0.0336	0.2153	0.115	0.1269	7.3159	6.0834	23.8593
20	28.1092	-1.9095	-23.1219	4.3727	-0.5853	43.2715	-0.0132	1.8409	0.4469	-0.2165	0.4703	0.6662	-0.4549	-2.0975	-0.4571	0.0814	-0.0092	-0.0498	0.2461	0.0656	0.1229	-21.2497	11.9817	27.0827
21	5.5513	10.3763	-2.7549	83.8402	-5.5048	1.3691	1.0782	-0.9379	0.4503	4.3203	-2.8626	4.8403	0.8462	-1.3434	1.7844	0.1537	-0.3068	0.294	0.2748	-0.3189	0.3347	-2.1884	-10.3814	8.3602
22	21.5313	6.2426	5.0258	16.2874	8.4869	14.3761	-0.112	-0.8509	0.1781	-0.0625	-0.4745	0.6095	-0.1388	0.0973	0.5865	0.2502	-0.0214	0.008	0.0985	0.0414	0.0448	8.7858	7.8264	15.0113
23	6.2717	2.1663	5.5782	13.119	6.25	6.4722	0.7485	-0.2677	-0.3869	0.3703	-1.2168	1.8348	1.3293	-0.3367	0.4683	0.4202	-0.228	0.0385	0.1691	0.0126	0.1628	4.9044	-14.7827	12.3378
24	17.0009	15.6454	-5.9126	14.5307	-4.3357	11.2713	-0.0589	-0.6236	0.0866	0.1585	-0.0778	-0.2895	-0.2023	0.4367	0.1367	0.1438	0.0862	-0.0887	0.1618	-0.0921	0.1567	10.7058	-7.4736	3.2008
25	6.4074	3.4867	-1.9283	2.0323	-0.6425	1.8068	0.1422	-0.0681	-0.0195	-0.1197	-0.0289	0.2297	0.3973	0.2996	-0.1133	0.1712	-0.0301	-0.08	0.1526	-0.0603	0.146	12.6277	-7.538	1.1308
26	22.4963	11.231	-12.0214	16.8664	-17.6947	39.4107	-0.8123	-0.7124	-1.8241	0.5208	0.2177	-1.4006	1.8799	-0.6497	0.5947	0.217	0.0636	-0.0763	0.1691	0.0558	0.1272	16.2973	-17.2482	11.5241
27	10.1264	-1.1054	-10.5933	9.0463	-1.6223	11.9467	0.281	0.2187	-0.3191	-0.3851	-0.4668	0.2266	-0.644	-0.3506	0.1858	0.1128	-0.0885	-0.0714	0.258	-0.0257	0.204	20.8572	0.0271	6.1397
28	2.972	-1.0938	-1.193	17.2551	-1.7775	2.758	0.3301	-0.2694	-0.0512	0.9638	-0.2013	-0.2055	-0.2957	0.4188	-0.1287	0.1947	-0.0431	-0.0576	0.2042	-0.0305	0.0927	13.6713	-1.0163	11.9741
29	5.0841	7.2772	-0.9554	20.6581	1.9384	8.1012	0.2128	-0.1582	-0.1629	0.6856	-0.4585	0.4908	0.6602	-0.6276	0.2458	0.1362	-0.0935	-0.0693	0.1733	-0.0572	0.0916	4.9482	-12.7291	3.6781
30	2.0407	4.9139	0.586	18.8979	1.9586	0.2107	-0.3007	0.2582	-0.1062	-0.8078	0.4024	0.0283	-0.164	0.2134	-0.1017	0.294	-0.0515	0.0459	0.1713	-0.0464	0.0571	9.5723	15.2054	11.3044
31	8.6216	5.4126	-1.6467	3.6591	-3.184	18.0211	0.4193	0.5536	0.9884	0.1028	-0.9022	-0.4677	-0.8736	-0.405	0.4828	0.1392	-0.0071	0.0028	0.2117	-0.0267	0.1393	14.3748	50.8541	9.6612
32	2.7823	2.858	0.4517	5.2318	-1.8838	3.4915	0.2487	0.5681	0.338	-0.2359	-1.1832	-0.5324	0.1064	-0.0038	0.9345	0.169	0.0447	0.0445	0.2825	0.0154	0.123	11.0829	41.3475	8.3239
33	3.7514	-2.6014	2.143	20.5971	1.595	1.7293	-0.0297	0.0648	-0.2379	0.1334	0.1135	-0.0749	0.0865	0.0534	-0.0838	0.304	-0.063	0.0761	0.1488	-0.0242	0.0735	9.1154	23.3751	10.2665
34	5.6632	0.7176	2.0836	7.254	-3.0946	17.7768	0.056	0.2395	-0.1127	-0.2516	0.1981	0.0797	0.6467	-1.115	-0.2541	0.0049	-0.0023	-0.0301	0.1643	0.0198	0.1434	1.0342	38.4487	12.2774
35	14.1588	-2.0609	1.9835	2.6171	3.3599	6.0231	-0.5843	-0.0253	0.8451	-0.3772	0.44	-0.3003	-0.1929	-0.2768	0.1442	0.1467	-0.0342	0.0004	0.2786	0.0289	0.1411	2.4548	42.7494	4.7716
36	1.4817	-2.4898	-0.6544	15.2699	1.0247	0.2896	-0.2357	-0.004	-0.1456	-0.4284	0.0214	0.0019	0.3423	0.1878	0.2143	0.2326	0.0452	0.0675	0.1676	0.0204	0.0651	12.5796	27.078	4.8164
37	11.6791	-3.1614	10.9614	20.0691	13.3799	24.196	-1.8066	-1.0524	1.4621	0.0686	0.1486	0.8751	-0.9922	-0.712	1.658	0.1864	0.0549	-0.0777	0.2048	-0.1009	0.2223	4.6122	51.4582	13.9136
38	4.3385	2.6842	2.0044	9.0377	-0.2348	2.7769	-0.0885	-0.3614	0.265	0.2835	-0.0936	0.3134	0.1939	-0.187	0.1822	0.1708	-0.0484	0.0149	0.1717	-0.0148	0.1468	6.809	37.2056	18.3983
39	8.3476	12.398	5.0712	26.9892	7.4979	4.0585	0.4689	-0.4072	-0.0158	0.5135	-0.6132	0.6684	0.5775	-0.6414	0.1442	0.1102	-0.0738	0.0973	0.1326	-0.0104	0.0996	4.2532	20.9236	18.0297
40	6.828	1.5374	-4.5498	8.9125	-4.6852	11.0561	-0.1786	0.3732	0.6436	0.2862	0.3971	-1.0676	-1.0758	-0.2831	-0.2185	0.1925	-0.0273	0.012	0.1804	-0.0374	0.2	14.6359	48.3662	16.7862

Refinement TLS group

Refine-ID: X-RAY DIFFRACTION / Selection: ALL

ID	Refine TLS-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	A	A	1 - 7	1 - 7
2	2	A	A	8 - 28	8 - 28
3	3	A	A	29 - 35	29 - 35
4	4	A	A	36 - 42	36 - 42
5	5	A	A	43 - 60	43 - 60
6	6	A	A	61 - 67	61 - 67
7	7	A	A	68 - 87	68 - 87
8	8	A	A	88 - 102	88 - 102
9	9	A	A	103 - 119	103 - 119
10	10	A	A	120 - 132	120 - 132
11	11	A	A	133 - 143	133 - 143
12	12	A	A	144 - 155	144 - 155
13	13	A	A	156 - 164	156 - 164
14	14	A	A	165 - 171	165 - 171
15	15	A	A	172 - 183	172 - 183
16	16	A	A	184 - 190	184 - 190
17	17	A	A	191 - 198	191 - 198
18	18	A	A	199 - 208	199 - 208
19	19	A	A	209 - 225	209 - 225
20	20	A	A	226 - 231	226 - 231
21	21	B	B	1 - 8	1 - 8
22	22	B	B	9 - 17	9 - 17
23	23	B	B	18 - 31	18 - 31
24	24	B	B	32 - 39	32 - 39
25	25	B	B	40 - 52	40 - 52
26	26	B	B	53 - 62	53 - 62
27	27	B	B	63 - 70	63 - 70
28	28	B	B	71 - 90	71 - 90
29	29	B	B	91 - 104	91 - 104
30	30	B	B	105 - 123	105 - 123
31	31	B	B	124 - 132	124 - 132
32	32	B	B	133 - 143	133 - 143
33	33	B	B	144 - 153	144 - 153
34	34	B	B	154 - 168	154 - 168
35	35	B	B	169 - 173	169 - 173
36	36	B	B	174 - 192	174 - 192
37	37	B	B	193 - 200	193 - 200
38	38	B	B	201 - 209	201 - 209
39	39	B	B	210 - 223	210 - 223
40	40	B	B	224 - 231	224 - 231

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