PDB-6psd: Complex of CRACR2a with a Dynein Light Intermediate Chain Peptide

ID or keywords:

Entry

Database: PDB / ID: 6psd

Title

Complex of CRACR2a with a Dynein Light Intermediate Chain Peptide

Components

EF-hand calcium-binding domain-containing protein 4B
cDNA FLJ10219 fis, clone HEMBA1007018, highly similar to Cytoplasmic dynein 1 light intermediate chain 1

Keywords

MOTOR PROTEIN / Effector

Function / homology

Function and homology information

response to histamine / early endosome to recycling endosome transport / store-operated calcium entry / activation of store-operated calcium channel activity / T-helper 1 cell differentiation / positive regulation of mitotic cell cycle spindle assembly checkpoint / dynein heavy chain binding / Weibel-Palade body / regulation of vesicle-mediated transport / positive regulation of calcium ion transport ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.66 Å

Authors

Dominguez, R. / Lee, I.G.

Funding support

United States, 1items

Citation

Journal: Nat Commun / Year: 2020
Title: A tunable LIC1-adaptor interaction modulates dynein activity in a cargo-specific manner.
Authors: Lee, I.G. / Cason, S.E. / Alqassim, S.S. / Holzbaur, E.L.F. / Dominguez, R.

History

Deposition	Jul 12, 2019	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jul 15, 2020	Provider: repository / Type: Initial release
Revision 1.1	Jul 28, 2021	Group: Database references / Derived calculations / Category: citation / citation_author / struct_conn Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _struct_conn.pdbx_dist_value / _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
Revision 1.2	Mar 13, 2024	Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2 Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Summary document	6psd_validation.pdf.gz	880.5 KB	Display	wwPDB validaton report
Full document	6psd_full_validation.pdf.gz	891.4 KB	Display
Data in XML	6psd_validation.xml.gz	26.3 KB	Display
Data in CIF	6psd_validation.cif.gz	37.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ps/6psd ftp://data.pdbj.org/pub/pdb/validation_reports/ps/6psd	HTTPS FTP

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Related structure data

Related structure data	6pseC C: citing same article (ref.)
Similar structure data	6hc0-5 6fdd-3 2i5m-d 3av8-3 5ytx-d 2vsp-1 6fdd-5 2ljx-d 2lwd-d 4ydp-2 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) 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

6pseC

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	#205 - Jan 2017 Nuclear Pore Complex similarity (6) #239 - Nov 2019 Phospholipase A2 similarity (1) #194 - Feb 2016 Designer Insulins similarity (1) #224 - Aug 2018 Legumain similarity (1) #14 - Feb 2001 Insulin similarity (1) #247 - Jul 2020 Myelin-associated Glycoprotein similarity (1) #88 - Apr 2007 Clathrin similarity (1) #258 - Jun 2021 Glucocorticoid Receptor and Dexamethasone similarity (1) #92 - Aug 2007 Anabolic Steroids similarity (1) #245 - May 2020 Spliceosomes similarity (1) #222 - Jun 2018 Proteins and Nanoparticles similarity (1) #12 - Dec 2000 Pepsin similarity (1) #209 - May 2017 Tissue Transglutaminase and Celiac Disease similarity (1) #62 - Feb 2005 Major Histocompatibility Complex similarity (1) #63 - Mar 2005 T-Cell Receptor similarity (1) #64 - Apr 2005 Kinesin similarity (1) #43 - Jul 2003 Src Tyrosine Kinase similarity (1) #60 - Dec 2004 Ubiquitin similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#205 - Jan 2017
Nuclear Pore Complex
similarity (6)
#239 - Nov 2019
Phospholipase A2
similarity (1)
#194 - Feb 2016
Designer Insulins
similarity (1)
#224 - Aug 2018
Legumain
similarity (1)
#14 - Feb 2001
Insulin
similarity (1)
#247 - Jul 2020
Myelin-associated Glycoprotein
similarity (1)
#88 - Apr 2007
Clathrin
similarity (1)
#258 - Jun 2021
Glucocorticoid Receptor and Dexamethasone
similarity (1)
#92 - Aug 2007
Anabolic Steroids
similarity (1)
#245 - May 2020
Spliceosomes
similarity (1)
#222 - Jun 2018
Proteins and Nanoparticles
similarity (1)
#12 - Dec 2000
Pepsin
similarity (1)
#209 - May 2017
Tissue Transglutaminase and Celiac Disease
similarity (1)
#62 - Feb 2005
Major Histocompatibility Complex
similarity (1)
#63 - Mar 2005
T-Cell Receptor
similarity (1)
#64 - Apr 2005
Kinesin
similarity (1)
#43 - Jul 2003
Src Tyrosine Kinase
similarity (1)
#60 - Dec 2004
Ubiquitin
similarity (1)

Deposited unit

E: EF-hand calcium-binding domain-containing protein 4B

C: EF-hand calcium-binding domain-containing protein 4B

A: EF-hand calcium-binding domain-containing protein 4B

G: EF-hand calcium-binding domain-containing protein 4B

I: EF-hand calcium-binding domain-containing protein 4B

K: EF-hand calcium-binding domain-containing protein 4B

M: EF-hand calcium-binding domain-containing protein 4B

O: EF-hand calcium-binding domain-containing protein 4B

F: cDNA FLJ10219 fis, clone HEMBA1007018, highly similar to Cytoplasmic dynein 1 light intermediate chain 1

D: cDNA FLJ10219 fis, clone HEMBA1007018, highly similar to Cytoplasmic dynein 1 light intermediate chain 1

B: cDNA FLJ10219 fis, clone HEMBA1007018, highly similar to Cytoplasmic dynein 1 light intermediate chain 1

H: cDNA FLJ10219 fis, clone HEMBA1007018, highly similar to Cytoplasmic dynein 1 light intermediate chain 1

J: cDNA FLJ10219 fis, clone HEMBA1007018, highly similar to Cytoplasmic dynein 1 light intermediate chain 1

L: cDNA FLJ10219 fis, clone HEMBA1007018, highly similar to Cytoplasmic dynein 1 light intermediate chain 1

N: cDNA FLJ10219 fis, clone HEMBA1007018, highly similar to Cytoplasmic dynein 1 light intermediate chain 1

P: cDNA FLJ10219 fis, clone HEMBA1007018, highly similar to Cytoplasmic dynein 1 light intermediate chain 1

hetero molecules

90.4 kDa, 16 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

E: EF-hand calcium-binding domain-containing protein 4B

F: cDNA FLJ10219 fis, clone HEMBA1007018, highly similar to Cytoplasmic dynein 1 light intermediate chain 1

hetero molecules

defined by author&software
Evidence: isothermal titration calorimetry
11.3 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: EF-hand calcium-binding domain-containing protein 4B

D: cDNA FLJ10219 fis, clone HEMBA1007018, highly similar to Cytoplasmic dynein 1 light intermediate chain 1

hetero molecules

defined by author&software
11.3 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

A: EF-hand calcium-binding domain-containing protein 4B

B: cDNA FLJ10219 fis, clone HEMBA1007018, highly similar to Cytoplasmic dynein 1 light intermediate chain 1

hetero molecules

defined by author&software
11.3 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

G: EF-hand calcium-binding domain-containing protein 4B

H: cDNA FLJ10219 fis, clone HEMBA1007018, highly similar to Cytoplasmic dynein 1 light intermediate chain 1

hetero molecules

defined by author&software
11.3 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

5

I: EF-hand calcium-binding domain-containing protein 4B

J: cDNA FLJ10219 fis, clone HEMBA1007018, highly similar to Cytoplasmic dynein 1 light intermediate chain 1

hetero molecules

defined by author&software
11.3 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

6

K: EF-hand calcium-binding domain-containing protein 4B

L: cDNA FLJ10219 fis, clone HEMBA1007018, highly similar to Cytoplasmic dynein 1 light intermediate chain 1

hetero molecules

defined by author&software
11.3 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

7

M: EF-hand calcium-binding domain-containing protein 4B

N: cDNA FLJ10219 fis, clone HEMBA1007018, highly similar to Cytoplasmic dynein 1 light intermediate chain 1

hetero molecules

defined by author&software
11.3 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

8

O: EF-hand calcium-binding domain-containing protein 4B

P: cDNA FLJ10219 fis, clone HEMBA1007018, highly similar to Cytoplasmic dynein 1 light intermediate chain 1

hetero molecules

defined by author&software
11.3 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	57.290, 161.990, 56.900
Angle α, β, γ (deg.)	90.000, 104.010, 90.000
Int Tables number	4
Space group name H-M	P12₁1

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Dom-ID	Ens-ID	Auth asym-ID	Auth seq-ID
1	1	A	48 - 118
2	1	C	48 - 118
1	2	A	47 - 119
2	2	E	47 - 119
1	3	A	48 - 117
2	3	G	48 - 117
1	4	A	48 - 118
2	4	I	48 - 118
1	5	A	47 - 119
2	5	K	47 - 119
1	6	A	48 - 118
2	6	M	48 - 118
1	7	A	47 - 117
2	7	O	47 - 117
1	8	C	48 - 118
2	8	E	48 - 118
1	9	C	48 - 117
2	9	G	48 - 117
1	10	C	48 - 119
2	10	I	48 - 119
1	11	C	48 - 118
2	11	K	48 - 118
1	12	C	48 - 119
2	12	M	48 - 119
1	13	C	48 - 117
2	13	O	48 - 117
1	14	E	48 - 117
2	14	G	48 - 117
1	15	E	48 - 118
2	15	I	48 - 118
1	16	E	47 - 119
2	16	K	47 - 119
1	17	E	48 - 118
2	17	M	48 - 118
1	18	E	47 - 117
2	18	O	47 - 117
1	19	G	48 - 117
2	19	I	48 - 117
1	20	G	48 - 117
2	20	K	48 - 117
1	21	G	48 - 117
2	21	M	48 - 117
1	22	G	48 - 117
2	22	O	48 - 117
1	23	I	48 - 118
2	23	K	48 - 118
1	24	I	48 - 119
2	24	M	48 - 119
1	25	I	48 - 117
2	25	O	48 - 117
1	26	K	48 - 118
2	26	M	48 - 118
1	27	K	47 - 117
2	27	O	47 - 117
1	28	M	48 - 117
2	28	O	48 - 117
1	29	B	441 - 452
2	29	D	441 - 452
1	30	B	442 - 452
2	30	F	442 - 452
1	31	B	441 - 452
2	31	H	441 - 452
1	32	B	441 - 452
2	32	J	441 - 452
1	33	B	441 - 452
2	33	L	441 - 452
1	34	B	441 - 452
2	34	N	441 - 452
1	35	B	441 - 453
2	35	P	441 - 453
1	36	D	442 - 453
2	36	F	442 - 453
1	37	D	440 - 452
2	37	H	440 - 452
1	38	D	440 - 452
2	38	J	440 - 452
1	39	D	440 - 454
2	39	L	440 - 454
1	40	D	441 - 453
2	40	N	441 - 453
1	41	D	441 - 452
2	41	P	441 - 452
1	42	F	442 - 452
2	42	H	442 - 452
1	43	F	442 - 452
2	43	J	442 - 452
1	44	F	442 - 453
2	44	L	442 - 453
1	45	F	442 - 453
2	45	N	442 - 453
1	46	F	442 - 452
2	46	P	442 - 452
1	47	H	440 - 452
2	47	J	440 - 452
1	48	H	440 - 452
2	48	L	440 - 452
1	49	H	441 - 452
2	49	N	441 - 452
1	50	H	441 - 452
2	50	P	441 - 452
1	51	J	440 - 452
2	51	L	440 - 452
1	52	J	441 - 452
2	52	N	441 - 452
1	53	J	441 - 452
2	53	P	441 - 452
1	54	L	441 - 453
2	54	N	441 - 453
1	55	L	441 - 452
2	55	P	441 - 452
1	56	N	441 - 452
2	56	P	441 - 452

NCS ensembles :

#1: Protein	EF-hand calcium-binding domain-containing protein 4B / Calcium release-activated calcium channel regulator 2A / CRAC channel regulator 2A / Calcium ...Calcium release-activated calcium channel regulator 2A / CRAC channel regulator 2A / Calcium release-activated channel regulator 2A Mass: 8671.653 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: CRACR2A, EFCAB4B / Production host: Escherichia coli (E. coli) / References: UniProt: Q9BSW2
#2: Protein/peptide	cDNA FLJ10219 fis, clone HEMBA1007018, highly similar to Cytoplasmic dynein 1 light intermediate chain 1 Mass: 2588.954 Da / Num. of mol.: 8 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human) / References: UniProt: B3KM42, UniProt: Q9Y6G9*PLUS
#3: Chemical	ChemComp-CA / CALCIUM ION Mass: 40.078 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Ca / Feature type: SUBJECT OF INVESTIGATION
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 48 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	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: 2.84 Å³/Da / Density % sol: 62.17 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop Details: 16% w/v polyethylene glycol 10,000, 0.5 M Bis-Tris, pH 6.5, and 10 mM CoCl2

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

SSRL

/ Beamline: BL14-1 / Wavelength: 0.9793 Å

Detector

Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Sep 15, 2018

Radiation

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

Radiation wavelength

Wavelength: 0.9793 Å / Relative weight: 1

Reflection twin

Crystal-ID	ID	Operator	Domain-ID	Fraction
1	1	H, K, L	1	0.338
1	1	L, -K, H	2	0.662

Reflection

Resolution: 2.66→43.352 Å / Num. obs: 28181 / % possible obs: 99.9 % / Redundancy: 10.8 % / CC_1/2: 0.96 / R_merge(I) obs: 0.359 / R_pim(I) all: 0.114 / Net I/σ(I): 7.2

Reflection shell

Resolution: 2.66→2.78 Å / R_merge(I) obs: 0.953 / Num. unique obs: 2798 / CC_1/2: 0.44 / R_pim(I) all: 0.33

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0131	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

SAD / Resolution: 2.66→43.35 Å / Cor.coef. F_o:F_c: 0.89 / Cor.coef. F_o:F_c free: 0.853 / SU B: 26.303 / SU ML: 0.25 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.224 / ESU R Free: 0.066 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : WITH TLS ADDED

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2324	2742	10.3 %	RANDOM
R_work	0.1971	-	-	-
obs	0.2008	23908	92.56 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK

Displacement parameters

B_iso max: 152.3 Å² / B_iso mean: 63.405 Å² / B_iso min: 20.6 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-2.86 Å²	0 Å²	6.42 Å²
2-	-	8.96 Å²	0 Å²
3-	-	-	-6.1 Å²

Refinement step

Cycle: final / Resolution: 2.66→43.35 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	5543	0	8	49	5600
B_iso mean	-	-	49.51	42.19	-
Num. residues	-	-	-	-	691

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.017	0.019	5654
X-RAY DIFFRACTION	r_bond_other_d	0.009	0.02	5250
X-RAY DIFFRACTION	r_angle_refined_deg	1.505	1.954	7575
X-RAY DIFFRACTION	r_angle_other_deg	2.794	3	12081
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.791	5	674
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	35.77	24.872	312
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	18.927	15	971
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	22.627	15	24
X-RAY DIFFRACTION	r_chiral_restr	0.094	0.2	800
X-RAY DIFFRACTION	r_gen_planes_refined	0.009	0.02	6464
X-RAY DIFFRACTION	r_gen_planes_other	0.011	0.02	1420

Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION / Type: interatomic distance / Weight position: 0.05

Ens-ID	Dom-ID	Auth asym-ID	Number	Rms dev position (Å)
1	1	A	6596	0.28
1	2	C	6596	0.28
2	1	A	6846	0.27
2	2	E	6846	0.27
3	1	A	6610	0.28
3	2	G	6610	0.28
4	1	A	6532	0.27
4	2	I	6532	0.27
5	1	A	6756	0.26
5	2	K	6756	0.26
6	1	A	6320	0.28
6	2	M	6320	0.28
7	1	A	6606	0.26
7	2	O	6606	0.26
8	1	C	6536	0.26
8	2	E	6536	0.26
9	1	C	6486	0.28
9	2	G	6486	0.28
10	1	C	6622	0.28
10	2	I	6622	0.28
11	1	C	6674	0.27
11	2	K	6674	0.27
12	1	C	6790	0.25
12	2	M	6790	0.25
13	1	C	6424	0.27
13	2	O	6424	0.27
14	1	E	6470	0.27
14	2	G	6470	0.27
15	1	E	6714	0.28
15	2	I	6714	0.28
16	1	E	6776	0.26
16	2	K	6776	0.26
17	1	E	6624	0.26
17	2	M	6624	0.26
18	1	E	6778	0.26
18	2	O	6778	0.26
19	1	G	6554	0.28
19	2	I	6554	0.28
20	1	G	6518	0.27
20	2	K	6518	0.27
21	1	G	6496	0.27
21	2	M	6496	0.27
22	1	G	6376	0.28
22	2	O	6376	0.28
23	1	I	6510	0.28
23	2	K	6510	0.28
24	1	I	6676	0.27
24	2	M	6676	0.27
25	1	I	6372	0.29
25	2	O	6372	0.29
26	1	K	6520	0.27
26	2	M	6520	0.27
27	1	K	6490	0.27
27	2	O	6490	0.27
28	1	M	6194	0.28
28	2	O	6194	0.28
29	1	B	984	0.22
29	2	D	984	0.22
30	1	B	926	0.18
30	2	F	926	0.18
31	1	B	992	0.24
31	2	H	992	0.24
32	1	B	1052	0.19
32	2	J	1052	0.19
33	1	B	1034	0.2
33	2	L	1034	0.2
34	1	B	1012	0.25
34	2	N	1012	0.25
35	1	B	1078	0.26
35	2	P	1078	0.26
36	1	D	952	0.23
36	2	F	952	0.23
37	1	D	1016	0.26
37	2	H	1016	0.26
38	1	D	1054	0.21
38	2	J	1054	0.21
39	1	D	1210	0.26
39	2	L	1210	0.26
40	1	D	1010	0.28
40	2	N	1010	0.28
41	1	D	924	0.27
41	2	P	924	0.27
42	1	F	872	0.25
42	2	H	872	0.25
43	1	F	922	0.2
43	2	J	922	0.2
44	1	F	980	0.2
44	2	L	980	0.2
45	1	F	992	0.26
45	2	N	992	0.26
46	1	F	874	0.25
46	2	P	874	0.25
47	1	H	1042	0.23
47	2	J	1042	0.23
48	1	H	1054	0.28
48	2	L	1054	0.28
49	1	H	908	0.29
49	2	N	908	0.29
50	1	H	956	0.28
50	2	P	956	0.28
51	1	J	1068	0.22
51	2	L	1068	0.22
52	1	J	982	0.25
52	2	N	982	0.25
53	1	J	982	0.26
53	2	P	982	0.26
54	1	L	1034	0.24
54	2	N	1034	0.24
55	1	L	992	0.24
55	2	P	992	0.24
56	1	N	956	0.28
56	2	P	956	0.28

LS refinement shell

Resolution: 2.663→2.732 Å / R_factor R_free error: 0 / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.306	122	-
R_work	0.255	980	-
all	-	1102	-
obs	-	-	50.62 %

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	1.002	0.3318	-0.1129	0.122	0.0382	0.5364	0.2033	-0.1942	-0.0352	0.0436	-0.0631	-0.0279	-0.0874	-0.0744	-0.1402	0.232	-0.0173	-0.0352	0.2488	0.0762	0.3083	1.0905	33.5858	-38.1257
2	2.4062	-1.7334	1.2092	1.6664	-1.3575	1.1851	0.1555	0.347	-0.0606	0.0678	-0.133	0.0121	-0.0943	0.0298	-0.0225	0.1789	0.0094	-0.1279	0.2972	0.0929	0.3087	-24.1574	41.3951	-8.1904
3	1.0687	0.8257	-0.5855	0.6512	-0.4789	1.5685	-0.067	0.0754	-0.0345	-0.0748	0.0054	-0.0571	-0.0971	-0.021	0.0616	0.1709	0.0346	-0.0281	0.2438	0.1736	0.3014	6.1558	42.7157	-7.9343
4	0.654	0.0468	-1.0115	0.6248	0.8596	2.9635	0.0149	-0.1817	0.0033	-0.1708	-0.1449	0.0929	-0.2616	0.0825	0.13	0.5542	0.0517	0.106	0.0936	0.0196	0.1293	-18.9801	10.1222	3.1882
5	0.5997	-0.913	0.626	1.9717	-1.8437	2.0847	-0.1226	0.0906	-0.0156	0.0585	-0.1337	-0.1287	-0.0269	-0.0091	0.2563	0.1655	0.0126	-0.1137	0.2373	0.1139	0.3279	-25.8664	32.6837	-38.9496
6	0.4807	-0.6468	-0.1512	1.3308	-0.1583	1.0268	-0.0764	0.0695	0.1216	0.061	-0.0382	0.0423	0.1278	0.1278	0.1147	0.3414	0.0252	-0.044	0.161	0.0769	0.2845	-14.227	10.9954	-27.1798
7	0.5155	-1.0767	-0.1529	2.2591	0.3402	2.4198	0.0999	0.0745	-0.0165	-0.1857	-0.1783	0.0614	0.074	0.1996	0.0784	0.4794	0.0509	0.0231	0.1124	-0.0365	0.1343	-6.9905	-14.7582	-37.3241
8	0.1168	-0.5858	0.588	3.3785	-3.1795	3.1049	0.1222	0.0168	0.0158	-0.2627	-0.1101	0.1686	0.3999	0.1536	-0.0122	0.5882	0.0604	0.1425	0.1166	0.0199	0.1683	-13.654	-15.1251	-7.6408
9	1.1672	0.0466	-2.3381	8.2666	3.2343	6.0916	0.1094	-0.205	0.0829	0.1184	-0.0946	0.1945	-0.0124	0.3711	-0.0148	0.2881	-0.0605	0.0423	0.2576	0.0706	0.2511	10.1283	35.5704	-36.8569
10	8.0463	3.2057	-1.5134	6.1831	1.0151	9.6844	0.0815	0.0742	0.5271	-0.3073	-0.333	0.7072	-0.7663	-0.26	0.2515	0.0805	0.037	-0.0627	0.2204	0.1034	0.235	-15.2317	43.1595	-8.3014
11	1.1295	1.3967	-1.9759	5.6799	1.7345	7.8741	-0.1236	0.2126	0.0813	-0.0776	0.395	-0.0345	0.2711	-0.2265	-0.2714	0.1503	0.0316	-0.0375	0.1617	0.0181	0.3481	-3.1834	43.1488	-7.6056
12	4.8858	-2.8974	0.5952	6.3803	2.3878	1.702	0.2563	0.2992	-0.0264	0.0875	-0.2656	0.0626	0.1186	0.0398	0.0092	0.5124	-0.022	0.0293	0.2135	0.0235	0.076	-17.7746	11.6043	-6.0815
13	0.2703	1.1178	0.2839	6.9903	-2.457	5.9114	0.0393	-0.1267	-0.0198	0.3192	-0.2767	-0.2014	-0.2276	-0.4443	0.2374	0.1547	0.0204	-0.1015	0.1992	0.0352	0.3778	-34.8768	30.9819	-37.5684
14	6.236	1.1285	2.6404	4.7909	-1.0298	1.6199	-0.1991	-0.2706	0.4951	0.2472	-0.0076	0.0748	-0.1255	-0.1286	0.2066	0.3772	0.0569	0.0151	0.1461	-0.012	0.1393	-14.1395	12.1424	-18.0417
15	0.6356	-2.0178	-1.5535	6.4105	4.9321	3.7982	-0.1315	-0.1436	0.0933	0.2989	0.4033	-0.2719	0.2043	0.3442	-0.2719	0.3601	0.109	0.1068	0.1068	-0.0649	0.1624	-7.0956	-14.944	-27.9332
16	4.7587	-0.5643	0.1956	6.2462	0.0158	0.0147	0.0482	-0.7666	-0.084	-0.2774	-0.0231	-0.1446	0.0541	-0.0202	-0.0251	0.4949	0.0973	0.036	0.2245	-0.023	0.0828	-8.4215	-14.883	-15.2145

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	47 - 307
2	X-RAY DIFFRACTION	2	C	48 - 305
3	X-RAY DIFFRACTION	3	E	47 - 307
4	X-RAY DIFFRACTION	4	G	48 - 201
5	X-RAY DIFFRACTION	5	I	48 - 306
6	X-RAY DIFFRACTION	6	K	47 - 308
7	X-RAY DIFFRACTION	7	M	48 - 303
8	X-RAY DIFFRACTION	8	O	47 - 302
9	X-RAY DIFFRACTION	9	B	442 - 454
10	X-RAY DIFFRACTION	10	D	440 - 504
11	X-RAY DIFFRACTION	11	F	442 - 502
12	X-RAY DIFFRACTION	12	H	440 - 501
13	X-RAY DIFFRACTION	13	J	439 - 502
14	X-RAY DIFFRACTION	14	L	440 - 454
15	X-RAY DIFFRACTION	15	N	441 - 454
16	X-RAY DIFFRACTION	16	P	441 - 502

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