PDB-3rez: glycoprotein GPIb variant

ID or keywords:

Entry

Database: PDB / ID: 3rez

Title

glycoprotein GPIb variant

Components

Platelet glycoprotein Ib beta chain, Platelet glycoprotein IX

Keywords

CELL ADHESION / platelet surface receptor /

Glycoprotein / GP1BB and GPIX

Function / homology

Function and homology information

glycoprotein Ib-IX-V complex /

blood coagulation, intrinsic pathway / Defective F9 activation / Platelet Adhesion to exposed collagen / positive regulation of platelet activation / megakaryocyte development / GP1b-IX-V activation signalling / plasma membrane => GO:0005886 / Platelet Aggregation (Plug Formation) / release of sequestered calcium ion into cytosol ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.35 Å

Authors

McEwan, P.A. / Yang, W. / Carr, K.H. / Mo, X. / Zheng, X. / Li, R. / Emsley, J.

Citation

Journal: Blood / Year: 2011
Title: Quaternary organization of GPIb-IX complex and insights into Bernard-Soulier syndrome revealed by the structures of GPIb beta and a GPIb beta/GPIX chimera
Authors: McEwan, P.A. / Yang, W. / Carr, K.H. / Mo, X. / Zheng, X. / Li, R. / Emsley, J.

History

Deposition	Apr 5, 2011	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Feb 15, 2012	Provider: repository / Type: Initial release
Revision 1.1	Aug 23, 2017	Group: Advisory / Refinement description / Source and taxonomy Category: entity_src_gen / pdbx_unobs_or_zero_occ_atoms / software
Revision 1.2	Jul 29, 2020	Group: Advisory / Data collection ...Advisory / Data collection / Database references / Derived calculations / Structure summary Category: chem_comp / database_PDB_caveat ...chem_comp / database_PDB_caveat / entity / pdbx_chem_comp_identifier / pdbx_entity_nonpoly / struct_conn / struct_ref_seq_dif / struct_site / struct_site_gen Item: _chem_comp.name / _chem_comp.type ..._chem_comp.name / _chem_comp.type / _entity.pdbx_description / _pdbx_entity_nonpoly.name / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_role / _struct_ref_seq_dif.details Description: Carbohydrate remediation / Provider: repository / Type: Remediation

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	3rez.cif.gz	192.8 KB	Display	PDBx/mmCIF format
PDB format	pdb3rez.ent.gz	161.1 KB	Display	PDB format
PDBx/mmJSON format	3rez.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/re/3rez ftp://data.pdbj.org/pub/pdb/validation_reports/re/3rez	HTTPS FTP

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Related structure data

Related structure data	3rfeC C: citing same article (ref.)
Similar structure data	4ph3-2 4qkt-2 1hkf-d 4ph3-1 1j73-d 4wkx-2 4jkn-1 5mkx-1 1xda-11 3fqy-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) 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

3rfeC

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#143 - Nov 2011 Toll-like Receptors similarity (8) #248 - Aug 2020 Phytosulfokine Receptor similarity (2) #68 - Aug 2005 Neurotrophins similarity (4) #134 - Feb 2011 Integrin similarity (1) #195 - Mar 2016 RAF Protein Kinases similarity (1) #25 - Jan 2002 Thrombin similarity (2) #83 - Nov 2006 Fibrin similarity (3) #222 - Jun 2018 Proteins and Nanoparticles similarity (1) #43 - Jul 2003 Src Tyrosine Kinase similarity (1) #60 - Dec 2004 Ubiquitin similarity (1) #247 - Jul 2020 Myelin-associated Glycoprotein similarity (1) #74 - Feb 2006 alpha-Amylase similarity (1) #75 - Mar 2006 Tissue Factor similarity (1) #105 - Sep 2008 Ribonuclease A similarity (1) #245 - May 2020 Spliceosomes similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#143 - Nov 2011
Toll-like Receptors
similarity (8)
#248 - Aug 2020
Phytosulfokine Receptor
similarity (2)
#68 - Aug 2005
Neurotrophins
similarity (4)
#134 - Feb 2011
Integrin
similarity (1)
#195 - Mar 2016
RAF Protein Kinases
similarity (1)
#25 - Jan 2002
Thrombin
similarity (2)
#83 - Nov 2006
Fibrin
similarity (3)
#222 - Jun 2018
Proteins and Nanoparticles
similarity (1)
#43 - Jul 2003
Src Tyrosine Kinase
similarity (1)
#60 - Dec 2004
Ubiquitin
similarity (1)
#247 - Jul 2020
Myelin-associated Glycoprotein
similarity (1)
#74 - Feb 2006
alpha-Amylase
similarity (1)
#75 - Mar 2006
Tissue Factor
similarity (1)
#105 - Sep 2008
Ribonuclease A
similarity (1)
#245 - May 2020
Spliceosomes
similarity (1)

Deposited unit

A: Platelet glycoprotein Ib beta chain, Platelet glycoprotein IX

B: Platelet glycoprotein Ib beta chain, Platelet glycoprotein IX

C: Platelet glycoprotein Ib beta chain, Platelet glycoprotein IX

D: Platelet glycoprotein Ib beta chain, Platelet glycoprotein IX

hetero molecules

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

1

A: Platelet glycoprotein Ib beta chain, Platelet glycoprotein IX

hetero molecules

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

2

B: Platelet glycoprotein Ib beta chain, Platelet glycoprotein IX

hetero molecules

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

3

C: Platelet glycoprotein Ib beta chain, Platelet glycoprotein IX

hetero molecules

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

4

D: Platelet glycoprotein Ib beta chain, Platelet glycoprotein IX

hetero molecules

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

Unit cell

Length a, b, c (Å)	72.010, 72.010, 171.731
Angle α, β, γ (deg.)	90.00, 90.00, 120.00
Int Tables number	152
Space group name H-M	P3₁21

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	B
3	1	C
4	1	D

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Refine code	Auth asym-ID	Auth seq-ID
1	1	1	4	A	10 - 100
2	1	1	4	B	10 - 100
3	1	1	4	C	10 - 100
4	1	1	4	D	10 - 100

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Protein , 1 types, 4 molecules ABCD

#1: Protein	Platelet glycoprotein Ib beta chain, Platelet glycoprotein IX / GP-Ib beta / GPIb-beta / GPIbB / Antigen CD42b-beta / GP-IX / GPIX / Glycoprotein 9 Mass: 14087.135 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Details: GP1BB and GPIX chimeria / Source: (gene. exp.) Homo sapiens (human) / Gene: GP1BB, GP9 / Production host: Cricetulus griseus (Chinese hamster) / References: UniProt: P13224, UniProt: P14770

#1: Protein

Platelet glycoprotein Ib beta chain, Platelet glycoprotein IX / GP-Ib beta / GPIb-beta / GPIbB / Antigen CD42b-beta / GP-IX / GPIX / Glycoprotein 9

Mass: 14087.135 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Details: GP1BB and GPIX chimeria / Source: (gene. exp.)

Homo sapiens (human) / Gene: GP1BB, GP9 / Production host:

Cricetulus griseus (Chinese hamster) / References: UniProt: P13224, UniProt: P14770

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Sugars , 3 types, 7 molecules

#2: Sugar

ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose /

N-Acetylglucosamine

Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 5
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

#4: Sugar

ChemComp-FUL / beta-L-fucopyranose / 6-DEOXY-BETA-L-GALACTOSE /

Fucose

Type: L-saccharide, beta linking / Mass: 164.156 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Formula: C₆H₁₂O₅

#5: Sugar

ChemComp-MAN / alpha-D-mannopyranose /

Mannose

Type: D-saccharide, alpha linking / Mass: 180.156 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Formula: C₆H₁₂O₆

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Non-polymers , 2 types, 280 molecules

#3: Chemical	ChemComp-PEG / DI(HYDROXYETHYL)ETHER / Diethylene glycol Mass: 106.120 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C₄H₁₀O₃
#6: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 273 / 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: 2.28 Å³/Da / Density % sol: 46.08 %
Crystal grow	Temperature: 292 K / Method: vapor diffusion, sitting drop / pH: 5 Details: 0.1 M MMT buffer pH 5 (MMT buffer is a mixture of DL-malic acid, MES and Tris base in the molar ratios 1:2:2 DL-malic acid:MES:Tris base), 25% (w/v) PEG 1500, VAPOR DIFFUSION, SITTING DROP, temperature 292K

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Data collection

Diffraction	Mean temperature: 80 K
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: ID29 / Wavelength: 0.8726 Å
Detector	Type: MARC MOSAIC3 / Detector: CCD / Date: Jun 18, 2010
Radiation	Monochromator: Si(311) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.8726 Å / Relative weight: 1
Reflection	Resolution: 2.2→62.36 Å / Num. obs: 23135 / % possible obs: 100 %

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Processing

Software

Name	Version	Classification
PHASER		phasing
REFMAC	5.5.0109	refinement
MOSFLM		data reduction
SCALA		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.35→42.17 Å / Cor.coef. F_o:F_c: 0.923 / Cor.coef. F_o:F_c free: 0.891 / SU B: 16.842 / SU ML: 0.189 / Cross valid method: THROUGHOUT / ESU R: 0.51 / ESU R Free: 0.283 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.25925	1036	5 %	RANDOM
R_work	0.21146	-	-	-
obs	0.2139	19566	92.53 %	-

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: 26.575 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.03 Å²	-0.01 Å²	0 Å²
2-	-	-0.03 Å²	0 Å²
3-	-	-	0.04 Å²

Refinement step

Cycle: LAST / Resolution: 2.35→42.17 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3473	0	118	273	3864

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.007	0.022	3722
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.301	2.034	5105
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.449	5	458
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	31.855	20.548	146
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	16.11	15	526
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	13.386	15	52
X-RAY DIFFRACTION	r_chiral_restr	0.073	0.2	587
X-RAY DIFFRACTION	r_gen_planes_refined	0.004	0.022	2832
X-RAY DIFFRACTION	r_gen_planes_other
X-RAY DIFFRACTION	r_nbd_refined
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_symmetry_metal_ion_refined
X-RAY DIFFRACTION	r_symmetry_metal_ion_other
X-RAY DIFFRACTION	r_mcbond_it	0.178	1.5	2311
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	0.35	2	3724
X-RAY DIFFRACTION	r_scbond_it	0.836	3	1411
X-RAY DIFFRACTION	r_scangle_it	1.487	4.5	1376
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Dom-ID: 1 / Ens-ID: 1 / Number: 692 / Refine-ID: X-RAY DIFFRACTION

Auth asym-ID	Type	Rms dev position (Å)	Weight position
A	medium positional	0.25	0.5
B	medium positional	0.34	0.5
C	medium positional	0.27	0.5
D	medium positional	0.29	0.5
A	medium thermal	0.31	2
B	medium thermal	0.34	2
C	medium thermal	0.28	2
D	medium thermal	0.33	2

LS refinement shell

Resolution: 2.35→2.411 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.284	92	-
R_work	0.235	1559	-
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	4.1977	-2.5983	4.9123	1.6104	-3.0141	11.565	-0.1653	0.3397	0.3753	0.0694	-0.2324	-0.2301	-0.9641	-0.342	0.3977	0.348	0.1226	-0.0177	0.2813	0.0161	0.3074	34.4329	-0.7658	0.0693
2	10.8119	2.7922	6.3511	0.9412	2.6999	9.7792	-0.0312	-0.3584	0.1638	-0.0074	-0.2079	0.1814	-0.0548	-0.6488	0.2391	0.1056	0.044	0.0507	0.146	-0.08	0.3903	35.3357	-7.8273	0.2475
3	14.1372	8.9228	0.9016	6.3112	0.7915	0.1309	0.3409	-0.4488	0.1107	-0.0601	-0.3547	0.0607	-0.0593	-0.0522	0.0139	0.2891	0.0586	-0.0043	0.201	0.0198	0.2308	36.3507	-3.3741	-7.0228
4	3.3471	2.6152	-0.5434	3.4875	0.8557	2.308	0.0715	0.231	0.3482	-0.0297	-0.0868	0.4636	0.0766	-0.2793	0.0153	0.1443	0.1023	0.0054	0.1284	0.0024	0.0812	36.7371	-10.108	-9.7605
5	3.9318	0.9912	-0.4169	3.1926	-0.32	1.9028	0.0589	0.2316	0.0126	-0.2039	0.0066	-0.001	-0.1501	-0.0988	-0.0655	0.1046	0.0245	0.0017	0.0732	-0.0145	0.0595	44.1038	-12.6005	-12.0129
6	1.1366	-0.1525	-1.6593	4.2316	-2.0188	3.7635	0.0147	0.0689	-0.2366	0.162	-0.2468	-0.0781	-0.1138	-0.0679	0.2321	0.1405	-0.002	-0.0149	0.1221	0.0511	0.2607	43.1637	-20.9593	-8.4553
7	8.0882	-2.8767	3.7083	4.1313	-2.3027	11.4294	-0.3446	0.5219	-0.1916	-0.5365	-0.027	0.1485	-0.2371	-0.2248	0.3716	0.212	-0.0078	-0.0671	0.1127	-0.08	0.1329	38.7664	-25.3267	-19.8236
8	20.9078	-8.5726	11.1018	25.4528	-3.1182	5.9972	0.9685	1.6242	0.9577	-0.9614	-1.3711	-1.8217	0.401	0.8582	0.4026	0.79	-0.0644	0.1009	0.7259	-0.0859	0.5159	42.3445	-22.3035	-27.2351
9	15.9202	0.1357	18.1395	0.0208	0.093	20.8756	-0.2126	0.1308	0.525	0.0822	-0.0433	0.0873	-0.4482	0.2423	0.2559	0.502	-0.1708	0.1233	0.2237	-0.0723	0.7263	45.8434	-16.5123	-49.2705
10	7.635	-1.6611	1.9518	0.4897	-1.2757	8.2967	-0.0588	0.2467	0.0542	0.1369	-0.0865	-0.1019	-0.2832	0.1936	0.1453	0.3125	-0.0913	-0.1414	0.1291	0.0189	0.2517	45.0457	-23.8274	-50.2123
11	4.4713	-1.3624	0.8259	4.0358	-0.9662	0.3141	0.177	0.325	0.5549	0.0367	-0.2278	-0.0353	-0.0509	0.1314	0.0508	0.3156	-0.0632	0.0024	0.1979	-0.093	0.2008	41.9324	-19.9364	-43.5277
12	4.0433	-1.3882	0.0248	3.1951	-0.2192	3.293	0.1063	0.0033	0.1868	-0.0063	-0.0573	-0.0084	-0.1992	0.028	-0.049	0.0786	-0.0284	-0.0119	0.0552	-0.0456	0.0815	38.24	-27.1171	-43.2003
13	14.9148	-7.1749	9.5249	3.4645	-4.58	6.0848	-0.6031	-1.0331	0.4114	0.2636	0.3921	-0.1564	-0.3651	-0.6755	0.211	0.2533	0.0008	-0.0236	0.4153	-0.1436	0.2645	36.032	-34.0301	-30.7039
14	7.1075	-2.933	-1.0025	5.4916	1.8032	2.5019	0.0906	0.2309	-0.173	-0.1406	-0.1736	0.0088	0.0319	-0.2257	0.083	0.0902	-0.0084	-0.0093	0.0336	-0.024	0.0291	30.6782	-34.4287	-44.7029
15	4.1309	1.6937	4.5157	5.372	1.5146	4.996	0.193	-0.4167	-0.0571	0.335	-0.162	0.1046	0.1639	-0.381	-0.0309	0.1343	-0.0371	-0.0418	0.2149	0.0549	0.0606	38.5164	-42.7523	-34.2404
16	0.3905	-1.7286	0.1213	7.6615	-0.5426	0.0433	-0.0799	0.0176	0.5069	0.3165	-0.0595	-2.2349	-0.0348	-0.0506	0.1394	0.5295	-0.0597	0.0627	0.6663	-0.0758	0.7058	33.5984	-40.3349	-26.4534
17	0.0643	0.0822	-0.1672	0.6633	-2.2291	7.8813	0.0714	-0.0833	0.0878	-0.0203	0.2343	0.2111	0.1681	-0.9825	-0.3057	0.1597	-0.1296	0.0342	0.3064	-0.0544	0.5694	36.3953	-44.9749	-1.5459
18	5.7895	-1.0603	-0.0568	4.1052	4.4411	9.3006	0.0756	0.1119	-0.3438	0.0553	0.2529	0.357	0.4811	-0.0408	-0.3285	0.1831	-0.1267	-0.0058	0.122	0.0138	0.2704	41.3433	-48.4819	-9.9543
19	24.8596	1.8883	4.721	9.5388	-1.1877	11.7124	-0.016	-0.2107	-0.0883	0.3544	-0.2526	0.5197	-0.15	-0.8186	0.2686	0.1716	-0.0304	0.024	0.1394	0.0062	0.1247	36.2184	-36.2798	-3.8844
20	2.9035	-2.8891	1.0123	3.097	-1.2139	0.5463	-0.0184	0.1068	-0.3341	-0.168	0.0343	0.2332	0.1614	-0.0951	-0.0159	0.1828	-0.1215	0.0411	0.125	-0.0595	0.1602	44.4343	-42.3362	-13.7386
21	3.0658	-1.341	-1.2123	2.5132	-0.0626	4.9896	0.0416	0.0903	0.002	0.0395	-0.0697	0.1875	-0.08	-0.2858	0.0282	0.0772	-0.0432	-0.0085	0.0611	-0.0372	0.1249	46.8254	-37.3952	-14.4652
22	5.8718	0.8199	2.8356	9.4178	-2.2915	2.147	-0.0443	0.0082	0.3648	0.6665	-0.1833	-0.1179	-0.2063	0.0608	0.2276	0.1299	-0.0238	0.0286	0.0819	-0.0213	0.054	52.571	-31.9898	-9.6087
23	2.6069	1.0112	1.3238	2.4693	2.988	3.7037	0.093	0.0854	-0.4461	-0.1859	-0.1473	0.0269	-0.0806	-0.0632	0.0543	0.2843	0.136	0.0597	0.2051	0.0039	0.134	58.7605	-41.8983	-21.5348
24	11.6917	0.2274	14.0353	5.3928	2.2424	17.6937	-0.3886	0.4179	0.2259	-0.3469	0.2663	-0.2358	-0.7944	0.5163	0.1223	0.3776	-0.0032	0.0676	0.3482	0.0269	0.1721	54.2406	-33.8683	-30.0379
25	3.2708	1.6446	2.407	7.5449	-3.2019	4.6867	-0.4178	0.2812	0.1693	-0.1702	-0.0494	-0.5154	-0.3367	0.3753	0.4672	0.2287	-0.0719	0.0611	0.1642	-0.0894	0.1865	77.0956	-0.1716	-4.1358
26	4.1961	-1.5741	2.5956	2.0264	-1.9751	2.3157	-0.0345	0.1317	0.1847	0.0629	-0.0945	-0.1836	-0.0607	0.1036	0.129	0.2567	-0.1049	0.0948	0.1698	-0.0387	0.2697	76.79	-2.1148	-11.5823
27	4.1693	-1.248	0.473	2.7418	0.543	3.0982	-0.0426	0.1126	0.0962	-0.0666	0.0837	-0.136	0.0381	0.1288	-0.0411	0.0841	-0.0644	0.0406	0.0727	-0.0317	0.026	70.3244	-6.3814	-11.1707
28	11.4746	3.0785	10.1407	9.9656	4.6768	9.3869	-0.1187	0.7055	0.4554	-1.1982	-0.1538	-0.6513	-0.3918	0.5115	0.2725	0.3536	0.0413	0.1148	0.2442	0.0201	0.0946	62.0413	-2.778	-21.8763
29	4.4668	-0.1769	-7.3716	14.3994	-5.4002	14.4728	0.1087	0.0351	-0.2171	-0.0133	-0.2869	0.1516	-0.193	0.0089	0.1783	0.0098	-0.0076	-0.0014	0.0475	0.0732	0.2434	63.8768	-14.4133	-13.0551
30	2.2295	-0.6081	2.1693	3.1393	-2.5261	3.3883	-0.1226	-0.0192	0.1598	-0.07	0.0359	0.0392	-0.1174	-0.0611	0.0867	0.2273	0.0509	0.0567	0.1481	-0.0054	0.0387	56.6619	-3.9306	-14.8467
31	6.8243	-0.0617	0.1498	8.2348	-4.012	7.5167	-0.2772	0.3309	0.1873	-0.4178	0.0061	-0.0107	0.1356	-0.4138	0.271	0.13	0.0083	0.0069	0.1387	-0.0563	0.0475	52.5455	-5.9733	-17.7227
32	1.1802	-1.4567	-4.0727	1.8003	5.0322	14.0706	-0.474	0.2148	-0.3012	0.4126	-0.3725	0.3552	1.2037	-0.7066	0.8465	0.7518	0.0216	0.0081	0.6771	0.0511	0.8196	55.074	-10.7527	-26.7105

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	0 - 8
2	X-RAY DIFFRACTION	2	A	9 - 16
3	X-RAY DIFFRACTION	3	A	17 - 28
4	X-RAY DIFFRACTION	4	A	29 - 44
5	X-RAY DIFFRACTION	5	A	45 - 79
6	X-RAY DIFFRACTION	6	A	80 - 91
7	X-RAY DIFFRACTION	7	A	92 - 106
8	X-RAY DIFFRACTION	8	A	107 - 113
9	X-RAY DIFFRACTION	9	B	0 - 8
10	X-RAY DIFFRACTION	10	B	9 - 16
11	X-RAY DIFFRACTION	11	B	17 - 28
12	X-RAY DIFFRACTION	12	B	29 - 63
13	X-RAY DIFFRACTION	13	B	64 - 70
14	X-RAY DIFFRACTION	14	B	71 - 87
15	X-RAY DIFFRACTION	15	B	88 - 107
16	X-RAY DIFFRACTION	16	B	108 - 113
17	X-RAY DIFFRACTION	17	C	-1 - 11
18	X-RAY DIFFRACTION	18	C	12 - 24
19	X-RAY DIFFRACTION	19	C	25 - 30
20	X-RAY DIFFRACTION	20	C	31 - 47
21	X-RAY DIFFRACTION	21	C	48 - 73
22	X-RAY DIFFRACTION	22	C	74 - 87
23	X-RAY DIFFRACTION	23	C	88 - 104
24	X-RAY DIFFRACTION	24	C	105 - 115
25	X-RAY DIFFRACTION	25	D	0 - 16
26	X-RAY DIFFRACTION	26	D	17 - 28
27	X-RAY DIFFRACTION	27	D	29 - 61
28	X-RAY DIFFRACTION	28	D	62 - 69
29	X-RAY DIFFRACTION	29	D	70 - 82
30	X-RAY DIFFRACTION	30	D	83 - 96
31	X-RAY DIFFRACTION	31	D	97 - 105
32	X-RAY DIFFRACTION	32	D	106 - 110

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