PDB-6qlb: Calpain small subunit 1, RNA-binding protein Hfq

ID or keywords:

Entry

Database: PDB / ID: 6qlb

Title

Calpain small subunit 1, RNA-binding protein Hfq

Components

Calpain small subunit 1
RNA-binding protein Hfq

Keywords

DNA BINDING PROTEIN /

Calpain-1 / PEF(S) / Hfq /

E.coli / Chaperone /

Calcium binding /

EF-Hand /

Complex / 3D Structure Determination /

Contamination / Contaminant /

RNA binding /

DNA binding /

Cysteine /

Protease /

Nucleotide

Function / homology

Function and homology information

sRNA-mediated post-transcriptional gene silencing / positive regulation of translation, ncRNA-mediated /

calpain complex /

regulation of translation, ncRNA-mediated / RNA folding chaperone / bent DNA binding / regulation of RNA stability / calcium-dependent cysteine-type endopeptidase activity / Formation of the cornified envelope / Deregulated CDK5 triggers multiple neurodegenerative pathways in Alzheimer's disease models ...
Similarity search - Function

Biological species

Homo sapiens (human)

Escherichia coli (E. coli)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.32 Å

Authors

Rizkallah, P.J. / Cresser-Brown, J.O.

Citation

Journal: Acta Crystallogr.,Sect.F / Year: 2020
Title: Calpain small subunit 1, RNA-binding protein Hfq
Authors: Rizkallah, P.J. / Cresser-Brown, J.O.

History

Deposition	Jan 31, 2019	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Feb 5, 2020	Provider: repository / Type: Initial release
Revision 1.1	Jan 24, 2024	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 / citation / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_ncs_dom_lim Item: _citation.year / _database_2.pdbx_DOI ..._citation.year / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _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 / _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	6qlb.cif.gz	407.7 KB	Display	PDBx/mmCIF format
PDB format	pdb6qlb.ent.gz	334.9 KB	Display	PDB format
PDBx/mmJSON format	6qlb.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/ql/6qlb ftp://data.pdbj.org/pub/pdb/validation_reports/ql/6qlb	HTTPS FTP

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Related structure data

Related structure data	4phjS S: Starting model for refinement
Similar structure data	5oo6-4 3spa-d 5ftu-1 3qcu-d 6gvg-d 6gvf-d 6gvh-d 6gvi-d 5xae-d 3hul-1 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	#32 - Aug 2002 Chaperones similarity (1) #130 - Oct 2010 Riboswitches similarity (1) #145 - Jan 2012 Messenger RNA Capping similarity (1) #79 - Jul 2006 Amyloid-beta Precursor Protein similarity (1) #189 - Sep 2015 Amyloids similarity (1) #107 - Nov 2008 Mechanosensitive Channels similarity (1) #245 - May 2020 Spliceosomes similarity (1) #122 - Feb 2010 Enhanceosome similarity (1) #94 - Oct 2007 Superoxide Dismutase similarity (1) #237 - Sep 2019 Nanodiscs and HDL similarity (1) #56 - Aug 2004 Caspases similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#32 - Aug 2002
Chaperones
similarity (1)
#130 - Oct 2010
Riboswitches
similarity (1)
#145 - Jan 2012
Messenger RNA Capping
similarity (1)
#79 - Jul 2006
Amyloid-beta Precursor Protein
similarity (1)
#189 - Sep 2015
Amyloids
similarity (1)
#107 - Nov 2008
Mechanosensitive Channels
similarity (1)
#245 - May 2020
Spliceosomes
similarity (1)
#122 - Feb 2010
Enhanceosome
similarity (1)
#94 - Oct 2007
Superoxide Dismutase
similarity (1)
#237 - Sep 2019
Nanodiscs and HDL
similarity (1)
#56 - Aug 2004
Caspases
similarity (1)

Deposited unit

A: Calpain small subunit 1

B: Calpain small subunit 1

C: Calpain small subunit 1

D: Calpain small subunit 1

E: RNA-binding protein Hfq

F: RNA-binding protein Hfq

G: RNA-binding protein Hfq

H: RNA-binding protein Hfq

hetero molecules

110 kDa, 8 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)	147.607, 147.607, 147.607
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	198
Space group name H-M	P2₁3

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Component-ID: 0 / Refine code: 0

Dom-ID	Ens-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	GLU	GLU	MET	MET	A	A	2 - 171	2 - 171
2	1	GLU	GLU	MET	MET	B	B	2 - 171	2 - 171
1	2	GLU	GLU	TYR	TYR	A	A	2 - 172	2 - 172
2	2	GLU	GLU	TYR	TYR	C	C	2 - 172	2 - 172
1	3	GLU	GLU	TYR	TYR	A	A	2 - 172	2 - 172
2	3	GLU	GLU	TYR	TYR	D	D	2 - 172	2 - 172
1	4	GLU	GLU	MET	MET	B	B	1 - 171	1 - 171
2	4	GLU	GLU	MET	MET	C	C	1 - 171	1 - 171
1	5	GLU	GLU	MET	MET	B	B	1 - 171	1 - 171
2	5	GLU	GLU	MET	MET	D	D	1 - 171	1 - 171
1	6	GLU	GLU	SER	SER	C	C	1 - 173	1 - 173
2	6	GLU	GLU	SER	SER	D	D	1 - 173	1 - 173
1	7	GLY	GLY	ALA	ALA	E	E	1 - 63	1 - 63
2	7	GLY	GLY	ALA	ALA	F	F	1 - 63	1 - 63
1	8	GLY	GLY	ALA	ALA	E	E	1 - 63	1 - 63
2	8	GLY	GLY	ALA	ALA	G	G	1 - 63	1 - 63
1	9	GLY	GLY	ALA	ALA	E	E	1 - 63	1 - 63
2	9	GLY	GLY	ALA	ALA	H	H	1 - 63	1 - 63
1	10	GLY	GLY	ALA	ALA	F	F	1 - 63	1 - 63
2	10	GLY	GLY	ALA	ALA	G	G	1 - 63	1 - 63
1	11	GLY	GLY	ALA	ALA	F	F	1 - 63	1 - 63
2	11	GLY	GLY	ALA	ALA	H	H	1 - 63	1 - 63
1	12	GLY	GLY	ALA	ALA	G	G	1 - 63	1 - 63
2	12	GLY	GLY	ALA	ALA	H	H	1 - 63	1 - 63

NCS ensembles :

ID
1
2
3
4
5
6
7
8
9
10
11
12

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Protein , 2 types, 8 molecules ABCDEFGH

#1: Protein	Calpain small subunit 1 / / CSS1 / Calcium-activated neutral proteinase small subunit / CANP small subunit / Calcium-dependent ...CSS1 / Calcium-activated neutral proteinase small subunit / CANP small subunit / Calcium-dependent protease small subunit / CDPS / Calcium-dependent protease small subunit 1 / Calpain regulatory subunit Mass: 19997.648 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Details: CAPNS1-deltaGR gene / Source: (gene. exp.) Homo sapiens (human) / Gene: CAPNS1, CAPN4, CAPNS / Production host: Escherichia coli (E. coli) / References: UniProt: P04632
#2: Protein	RNA-binding protein Hfq Mass: 7065.178 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Gene: hfq, NCTC13125_02619 / Production host: Escherichia coli (E. coli) / References: UniProt: A0A376T1I0, UniProt: P0A6X3*PLUS

#1: Protein

Calpain small subunit 1 /

/ CSS1 / Calcium-activated neutral proteinase small subunit / CANP small subunit / Calcium-dependent ...

Mass: 19997.648 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Details: CAPNS1-deltaGR gene / Source: (gene. exp.)

Homo sapiens (human) / Gene: CAPNS1, CAPN4, CAPNS / Production host:

Escherichia coli (E. coli) / References: UniProt: P04632

#2: Protein

RNA-binding protein Hfq

Mass: 7065.178 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Escherichia coli (E. coli) / Gene: hfq, NCTC13125_02619 / Production host:

Escherichia coli (E. coli) / References: UniProt: A0A376T1I0, UniProt: P0A6X3*PLUS

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Non-polymers , 5 types, 183 molecules

#3: Chemical	ChemComp-CA / CALCIUM ION Mass: 40.078 Da / Num. of mol.: 20 Source method: isolated from a genetically manipulated source Formula: Ca
#4: Chemical	ChemComp-GUN / GUANINE / Guanine Mass: 151.126 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₅H₅N₅O
#5: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol Mass: 62.068 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₂H₆O₂
#6: Chemical	ChemComp-P4G / 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE / Diethylene glycol diethyl ether Mass: 162.227 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₈H₁₈O₃
#7: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 156 / 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: 2.48 Å³/Da / Density % sol: 50.37 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 9 Details: Molecular Dimensions Pact premier screen condition D06: 0.1 M MMT, 25% PEG1500, pH 9.0

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.9795 Å
Detector	Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Dec 11, 2017
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9795 Å / Relative weight: 1
Reflection	Resolution: 2.32→66.02 Å / Num. obs: 46565 / % possible obs: 100 % / Redundancy: 22.1 % / B_iso Wilson estimate: 42.7 Å² / CC_1/2: 0.999 / R_merge(I) obs: 0.114 / R_rim(I) all: 0.116 / Net I/σ(I): 19.2
Reflection shell	Resolution: 2.32→2.38 Å / Redundancy: 22.2 % / R_merge(I) obs: 1.115 / Num. unique obs: 3416 / CC_1/2: 0.632 / R_rim(I) all: 1.141 / % possible all: 100

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0238	refinement
xia2		data reduction
Aimless		data scaling
PHASER		phasing
XDS		data reduction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 4PHJ

4phj

Resolution: 2.32→66.01 Å / Cor.coef. F_o:F_c: 0.956 / Cor.coef. F_o:F_c free: 0.933 / SU B: 18.513 / SU ML: 0.207 / Cross valid method: THROUGHOUT / ESU R: 0.382 / ESU R Free: 0.249 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2474	2337	5.1 %	RANDOM
R_work	0.20093	-	-	-
obs	0.20328	43741	99.02 %	-

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 mean: 51.223 Å²

	B_aniso -1	B_aniso -2
1-	0 Å²	0 Å²
2-	-	0 Å²
3-	-	-

Refinement step

Cycle: 1 / Resolution: 2.32→66.01 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7591	0	90	156	7837

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.013	0.013	7851
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.017	7227
X-RAY DIFFRACTION	r_angle_refined_deg	1.855	1.639	10582
X-RAY DIFFRACTION	r_angle_other_deg	1.393	1.587	16731
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	7.306	5	944
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	33.188	22.417	451
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	19.456	15	1399
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	19.942	15	56
X-RAY DIFFRACTION	r_chiral_restr	0.099	0.2	1001
X-RAY DIFFRACTION	r_gen_planes_refined	0.009	0.02	8820
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	1736
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	1.955	2.719	3788
X-RAY DIFFRACTION	r_mcbond_other	1.952	2.719	3787
X-RAY DIFFRACTION	r_mcangle_it	3.067	4.067	4728
X-RAY DIFFRACTION	r_mcangle_other	3.067	4.068	4729
X-RAY DIFFRACTION	r_scbond_it	2.404	3.076	4063
X-RAY DIFFRACTION	r_scbond_other	2.4	3.075	4061
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	3.768	4.484	5855
X-RAY DIFFRACTION	r_long_range_B_refined	5.849	31.807	8889
X-RAY DIFFRACTION	r_long_range_B_other	5.841	31.756	8879
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

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	5352	0.12
1	2	B	5352	0.12
2	1	A	5313	0.13
2	2	C	5313	0.13
3	1	A	5376	0.12
3	2	D	5376	0.12
4	1	B	5470	0.1
4	2	C	5470	0.1
5	1	B	5387	0.12
5	2	D	5387	0.12
6	1	C	5386	0.13
6	2	D	5386	0.13
7	1	E	1675	0.13
7	2	F	1675	0.13
8	1	E	1719	0.12
8	2	G	1719	0.12
9	1	E	1705	0.13
9	2	H	1705	0.13
10	1	F	1697	0.14
10	2	G	1697	0.14
11	1	F	1756	0.1
11	2	H	1756	0.1
12	1	G	1692	0.14
12	2	H	1692	0.14

LS refinement shell

Resolution: 2.32→2.38 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.36	161	-
R_work	0.321	3167	-
obs	-	-	97.51 %

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	2.9947	0.5949	0.2325	1.5363	0.4489	4.0179	-0.1286	-0.1032	0.4067	0.1872	0.0958	-0.0602	-0.6018	0.143	0.0329	0.2897	0.0605	-0.0837	0.0807	-0.0461	0.2623	177.822	10.7681	108.3851
2	2.9621	-0.6428	-0.0288	0.9096	-0.603	2.3767	-0.0144	-0.0888	-0.0187	0.1134	0.0498	0.0938	0.1665	-0.1084	-0.0354	0.1586	0.0206	-0.0484	0.0544	-0.0385	0.1526	181.6366	-11.89	104.3382
3	2.3426	0.5019	0.7635	3.3144	-0.2575	1.6083	-0.0011	0.1096	-0.2329	0.1499	0.1409	0.1237	0.3483	0.0457	-0.1398	0.1864	-0.0405	0.0144	0.222	0.081	0.2089	146.5436	-40.8449	97.1324
4	1.5186	-0.5962	0.3347	3.0775	-1.2418	3.8803	-0.218	-0.2589	0.0365	0.7384	0.5009	0.3463	-0.1889	0.1202	-0.2829	0.28	0.1202	0.0656	0.2365	0.0782	0.2082	148.0824	-24.0302	113.9579
5	6.1541	-1.1608	2.0693	7.0964	0.7088	3.7203	-0.0592	-0.205	-0.367	0.0455	0.171	-0.7105	0.1289	0.7007	-0.1118	0.0559	-0.0387	-0.0344	0.34	0.1074	0.1642	174.1041	-9.9652	73.7431
6	3.8367	-0.9963	1.5688	7.411	0.0241	4.1403	0.165	-0.3855	-0.8034	0.1173	-0.0249	-0.0763	0.5888	0.5344	-0.1401	0.1352	0.024	-0.0509	0.2595	0.1906	0.266	162.0381	-24.2397	75.996
7	4.9822	0.698	0.2998	5.4709	0.6631	6.1226	-0.0168	-1.0366	-0.3989	0.7421	0.0082	0.485	0.1108	-0.1863	0.0086	0.1182	-0.0111	0.0692	0.3203	0.1421	0.1423	132.8127	-2.2306	97.875
8	2.6171	-0.9124	0.4312	6.4136	-0.3614	5.7571	-0.1631	-0.8804	0.0255	0.7374	0.0948	0.0004	-0.4554	0.3271	0.0684	0.2001	-0.0615	-0.0099	0.388	0.0123	0.0347	147.3464	9.6911	100.4306
9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.2527	-0.1745	-0.1322	0.3546	-0.032	0.2327	186.821	13.113	95.891
10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.6043	-0.0405	0.0321	0.2428	-0.13	0.3422	171.077	9.104	126.301
11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.3782	0.1229	-0.0185	0.2	-0.1642	0.1646	181.101	3.139	118.257
12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.5852	-0.367	0.1617	0.6803	-0.072	0.3455	195.756	13.736	102.189
13	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.283	-0.1586	0.0768	1.2052	0.1843	0.6608	160.164	6.425	89.867
14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1845	0.0812	0.0829	0.3192	0.0529	0.2781	175.625	-14.884	122.706
15	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.0843	-0.1037	-0.1564	0.6401	0.0698	0.3193	169.128	-14.027	113.588
16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1352	-0.0061	-0.1379	0.2508	-0.008	0.1415	199.551	-10.434	97.289
17	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1112	0.1349	-0.0854	0.1751	-0.0936	0.141	191.685	-4.295	107.556
18	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.8339	-0.612	0.0263	1.1616	-0.1861	0.494	163.212	-6.861	86.525
19	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.3162	-0.1652	0.1706	0.2879	0.0512	0.503	129.242	-45.17	104.037
20	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.3451	0.0655	0.0531	0.1418	0.1377	0.232	153.024	-43.342	108.405
21	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1056	-0.1127	0.001	0.3032	0.2752	0.5602	131.714	-37.164	96.838
22	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.3092	0.2325	-0.2077	0.2293	0.0127	0.6643	163.867	-49.054	100.897
23	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.9491	0.0353	-0.4972	0.7285	0.3604	0.7648	147.295	-19.749	82.774
24	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.4661	0.4422	-0.2884	0.7673	-0.2029	0.4443	165.289	-31.525	118.246
25	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.3351	0.1553	0.0955	0.3958	0.2434	0.3133	141.265	-35.062	116.37
26	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.4113	-0.0034	0.0256	0.6817	-0.114	0.1167	163.043	-23.904	110.467
27	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.7378	0.2806	0.4107	0.3476	0.2539	0.48	130.689	-26.844	122.091
28	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.9022	-0.1463	0.3904	0.7335	0.3132	1.0086	147.178	-8.888	93.112

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	1 - 173
2	X-RAY DIFFRACTION	2	B	1 - 173
3	X-RAY DIFFRACTION	3	C	1 - 173
4	X-RAY DIFFRACTION	4	D	1 - 173
5	X-RAY DIFFRACTION	5	E	1 - 65
6	X-RAY DIFFRACTION	6	F	1 - 65
7	X-RAY DIFFRACTION	7	G	1 - 65
8	X-RAY DIFFRACTION	8	H	1 - 65
9	X-RAY DIFFRACTION	9	A	201
10	X-RAY DIFFRACTION	10	A	206
11	X-RAY DIFFRACTION	11	A	211
12	X-RAY DIFFRACTION	12	A	216
13	X-RAY DIFFRACTION	13	A	221
14	X-RAY DIFFRACTION	14	B	201
15	X-RAY DIFFRACTION	15	B	206
16	X-RAY DIFFRACTION	16	B	211
17	X-RAY DIFFRACTION	17	B	216
18	X-RAY DIFFRACTION	18	B	221
19	X-RAY DIFFRACTION	19	C	201
20	X-RAY DIFFRACTION	20	C	206
21	X-RAY DIFFRACTION	21	C	211
22	X-RAY DIFFRACTION	22	C	216
23	X-RAY DIFFRACTION	23	C	221
24	X-RAY DIFFRACTION	24	D	201
25	X-RAY DIFFRACTION	25	D	206
26	X-RAY DIFFRACTION	26	D	211
27	X-RAY DIFFRACTION	27	D	216
28	X-RAY DIFFRACTION	28	D	221

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