PDB-6pxb: N-Terminal SH2 domain of the p120RasGAP

ID or keywords:

Entry

Database: PDB / ID: 6pxb

Title

N-Terminal SH2 domain of the p120RasGAP

Components

Ras GTPase-activating protein 1

Keywords

SIGNALING PROTEIN / SH2 GTPase Activating Proteins Ras pathway SIGNALING PROTEIN

Function / homology

Function and homology information

regulation of RNA metabolic process / regulation of actin filament polymerization / potassium channel inhibitor activity / negative regulation of cell adhesion / blood vessel morphogenesis / mitotic cytokinesis / negative regulation of cell-matrix adhesion / ephrin receptor signaling pathway / vasculogenesis / PTK6 Regulates RHO GTPases, RAS GTPase and MAP kinases ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.747 Å

Authors

Jaber Chehayeb, R. / Stiegler, A.L. / Boggon, T.J.

Funding support

United States, 1items

Citation

Journal: Plos One / Year: 2019
Title: Crystal structures of p120RasGAP N-terminal SH2 domain in its apo form and in complex with a p190RhoGAP phosphotyrosine peptide.
Authors: Jaber Chehayeb, R. / Stiegler, A.L. / Boggon, T.J.

History

Deposition	Jul 25, 2019	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Dec 18, 2019	Provider: repository / Type: Initial release
Revision 1.1	Jan 1, 2020	Group: Structure summary / Category: audit_author / Item: _audit_author.identifier_ORCID / _audit_author.name
Revision 1.2	Jan 15, 2020	Group: Database references / Category: citation / citation_author Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.identifier_ORCID
Revision 1.3	Oct 11, 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.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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PDBx/mmCIF format	6pxb.cif.gz	271.2 KB	Display	PDBx/mmCIF format
PDB format	pdb6pxb.ent.gz	223 KB	Display	PDB format
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Validation report

Summary document	6pxb_validation.pdf.gz	476.6 KB	Display	wwPDB validaton report
Full document	6pxb_full_validation.pdf.gz	486.4 KB	Display
Data in XML	6pxb_validation.xml.gz	27.1 KB	Display
Data in CIF	6pxb_validation.cif.gz	37.8 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/px/6pxb ftp://data.pdbj.org/pub/pdb/validation_reports/px/6pxb	HTTPS FTP

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Related structure data

Related structure data	6pxcC 4k44S S: Starting model for refinement C: citing same article (ref.)
Similar structure data	2k7x-d 6uae-4 1j0g-d 2kou-d 6r19-1 3d8l-2 5ez0-3 6r1w-1 5fx0-d 5ez0-4 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
Experimental dataset #1	Data reference: 10.15785/SBGRID/698 / Data set type: diffraction image data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#148 - Apr 2012 Ras Protein similarity (22) #196 - Apr 2016 Lead Poisoning similarity (6) #239 - Nov 2019 Phospholipase A2 similarity (5) #267 - Mar 2022 Vascular Endothelial Growth Factor (VegF similarity (2) #195 - Mar 2016 RAF Protein Kinases similarity (4) #245 - May 2020 Spliceosomes similarity (2) #43 - Jul 2003 Src Tyrosine Kinase similarity (3) #60 - Dec 2004 Ubiquitin similarity (3) #44 - Aug 2003 Calmodulin similarity (1) #122 - Feb 2010 Enhanceosome similarity (1) #28 - Apr 2002 Anthrax Toxin similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#148 - Apr 2012
Ras Protein
similarity (22)
#196 - Apr 2016
Lead Poisoning
similarity (6)
#239 - Nov 2019
Phospholipase A2
similarity (5)
#267 - Mar 2022
Vascular Endothelial Growth Factor (VegF
similarity (2)
#195 - Mar 2016
RAF Protein Kinases
similarity (4)
#245 - May 2020
Spliceosomes
similarity (2)
#43 - Jul 2003
Src Tyrosine Kinase
similarity (3)
#60 - Dec 2004
Ubiquitin
similarity (3)
#44 - Aug 2003
Calmodulin
similarity (1)
#122 - Feb 2010
Enhanceosome
similarity (1)
#28 - Apr 2002
Anthrax Toxin
similarity (1)

Deposited unit

F: Ras GTPase-activating protein 1

C: Ras GTPase-activating protein 1

A: Ras GTPase-activating protein 1

D: Ras GTPase-activating protein 1

E: Ras GTPase-activating protein 1

B: Ras GTPase-activating protein 1

73.6 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

F: Ras GTPase-activating protein 1

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

2

C: Ras GTPase-activating protein 1

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

3

A: Ras GTPase-activating protein 1

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

4

D: Ras GTPase-activating protein 1

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

5

E: Ras GTPase-activating protein 1

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

6

B: Ras GTPase-activating protein 1

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

Unit cell

Length a, b, c (Å)	64.021, 64.021, 119.447
Angle α, β, γ (deg.)	90.000, 90.000, 120.000
Int Tables number	145
Space group name H-M	P3₂

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	(chain A and (resid 180 through 262 or resid 265 through 280))
2	1	(chain B and (resid 180 through 262 or resid 265 through 280))
3	1	(chain C and (resid 180 through 262 or resid 265 through 280))
4	1	(chain D and (resid 180 through 262 or resid 265 through 280))
5	1	(chain E and (resid 180 through 262 or resid 265 through 280))
6	1	(chain F and resid 180 through 280)

NCS domain segments:

Ens-ID: 1

Dom-ID	Component-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	GLN	GLN	LEU	LEU	(chain A and (resid 180 through 262 or resid 265 through 280))	A	C	180 - 262	9 - 91
1	2	GLY	GLY	ASP	ASP	(chain A and (resid 180 through 262 or resid 265 through 280))	A	C	265 - 280	94 - 109
2	1	GLN	GLN	LEU	LEU	(chain B and (resid 180 through 262 or resid 265 through 280))	B	F	180 - 262	9 - 91
2	2	GLY	GLY	ASP	ASP	(chain B and (resid 180 through 262 or resid 265 through 280))	B	F	265 - 280	94 - 109
3	1	GLN	GLN	LEU	LEU	(chain C and (resid 180 through 262 or resid 265 through 280))	C	B	180 - 262	9 - 91
3	2	GLY	GLY	ASP	ASP	(chain C and (resid 180 through 262 or resid 265 through 280))	C	B	265 - 280	94 - 109
4	1	GLN	GLN	LEU	LEU	(chain D and (resid 180 through 262 or resid 265 through 280))	D	D	180 - 262	9 - 91
4	2	GLY	GLY	ASP	ASP	(chain D and (resid 180 through 262 or resid 265 through 280))	D	D	265 - 280	94 - 109
5	1	GLN	GLN	LEU	LEU	(chain E and (resid 180 through 262 or resid 265 through 280))	E	E	180 - 262	9 - 91
5	2	GLY	GLY	ASP	ASP	(chain E and (resid 180 through 262 or resid 265 through 280))	E	E	265 - 280	94 - 109
6	1	GLN	GLN	ASP	ASP	(chain F and resid 180 through 280)	F	A	180 - 280	9 - 109

#1: Protein	Ras GTPase-activating protein 1 / RasGAP / Ras p21 protein activator / p120GAP Mass: 12266.827 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: RASA1, GAP, RASA / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / Variant (production host): Rosetta / References: UniProt: P20936
#2: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 272 / Source method: isolated from a natural source / Formula: H₂O

#1: Protein

Ras GTPase-activating protein 1 / RasGAP / Ras p21 protein activator / p120GAP

Mass: 12266.827 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Homo sapiens (human) / Gene: RASA1, GAP, RASA / Production host:

Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / Variant (production host): Rosetta / References: UniProt: P20936

#2: Water

ChemComp-HOH / water

Mass: 18.015 Da / Num. of mol.: 272 / 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: 1.92 Å³/Da / Density % sol: 35.94 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 21% PEG 10,000 0.1M Tris pH 8.0 0.2M Ammonium Acetate Temp details: Room temperature

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 24-ID-E / Wavelength: 0.9792 Å

Detector

Type: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Feb 14, 2019

Radiation

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

Radiation wavelength

Wavelength: 0.9792 Å / Relative weight: 1

Reflection

Resolution: 1.747→50 Å / Num. obs: 55502 / % possible obs: 99.9 % / Redundancy: 9.9 % / R_merge(I) obs: 0.08 / R_pim(I) all: 0.026 / R_rim(I) all: 0.084 / Χ²: 0.92 / Net I/σ(I): 5.4

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Num. unique obs	CC_1/2	R_pim(I) all	R_rim(I) all	Χ²	% possible all
1.75-1.81	8	0.835	5568	0.909	0.303	0.89	0.693	99.9
1.81-1.89	8.9	0.62	5617	0.965	0.215	0.657	0.716	100
1.89-1.97	9.5	0.491	5487	0.978	0.167	0.519	0.774	100
1.97-2.07	10.1	0.3	5548	0.992	0.099	0.316	0.84	100
2.07-2.2	10	0.204	5573	0.995	0.067	0.215	0.907	100
2.2-2.38	10.6	0.165	5537	0.996	0.053	0.174	1.006	100
2.38-2.61	10.4	0.117	5517	0.997	0.038	0.123	1.065	99.8
2.61-2.99	9.8	0.091	5529	0.998	0.03	0.096	1.026	99.7
2.99-3.77	10.8	0.066	5590	0.999	0.021	0.069	1.081	100
3.77-50	10.4	0.062	5536	0.999	0.02	0.065	0.988	100

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Processing

Software

Name	Version	Classification
PHENIX	1.14_3260	refinement
SCALEPACK		data scaling
PDB_EXTRACT	3.25	data extraction
HKL-2000		data reduction
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 4K44

4k44

Resolution: 1.747→39.816 Å / SU ML: 0.28 / Cross valid method: THROUGHOUT / σ(F): 1.97 / Phase error: 35.34

	R_factor	Num. reflection	% reflection
R_free	0.263	2810	5.1 %
R_work	0.2198	-	-
obs	0.2221	55130	99.28 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å

Displacement parameters

B_iso max: 125.87 Å² / B_iso mean: 50.7053 Å² / B_iso min: 22.6 Å²

Refinement step

Cycle: final / Resolution: 1.747→39.816 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	4920	0	0	272	5192
B_iso mean	-	-	-	47.69	-
Num. residues	-	-	-	-	611

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Rms	Type
1	1	A	2906	X-RAY DIFFRACTION	19.969	TORSIONAL
1	2	B	2906	X-RAY DIFFRACTION	19.969	TORSIONAL
1	3	C	2906	X-RAY DIFFRACTION	19.969	TORSIONAL
1	4	D	2906	X-RAY DIFFRACTION	19.969	TORSIONAL
1	5	E	2906	X-RAY DIFFRACTION	19.969	TORSIONAL
1	6	F	2906	X-RAY DIFFRACTION	19.969	TORSIONAL

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	% reflection obs (%)
1.7471-1.7772	0.398	138	0.3759	2617	98
1.7772-1.8096	0.398	144	0.3374	2592	100
1.8096-1.8444	0.3672	106	0.331	2650	99
1.8444-1.882	0.397	108	0.3172	2707	99
1.882-1.9229	0.3381	162	0.3139	2542	99
1.9229-1.9677	0.3635	120	0.3035	2646	99
1.9677-2.0169	0.3209	168	0.3018	2580	99
2.0169-2.0714	0.35	87	0.296	2649	99
2.0714-2.1324	0.3353	162	0.2866	2631	100
2.1324-2.2012	0.3025	176	0.2796	2589	100
2.2012-2.2798	0.2974	140	0.2692	2613	100
2.2798-2.3711	0.3175	150	0.2789	2628	100
2.3711-2.479	0.3194	130	0.2614	2595	99
2.479-2.6097	0.2939	130	0.2476	2634	99
2.6097-2.7731	0.2627	156	0.239	2638	100
2.7731-2.9872	0.3032	145	0.2405	2578	99
2.9872-3.2877	0.2464	141	0.2068	2622	99
3.2877-3.7631	0.23	148	0.1756	2648	100
3.7631-4.7399	0.1916	164	0.1517	2570	100
4.7399-39.816	0.2247	135	0.1798	2591	98

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	3.9338	-1.7441	-1.0803	2.6045	-0.7092	2.247	0.0305	0.2125	-0.2165	-0.9851	-0.2352	-0.2355	0.8933	-0.5379	0.1148	0.4224	-0.0886	-0.0114	0.4865	-0.0347	0.2703	82.0009	15.1122	47.9442
2	0.6821	-1.3263	-0.36	2.6778	1.2799	7.6327	0.0608	0.0164	-0.1811	0.6877	0.0474	0.2969	0.4775	-0.7115	0.0437	0.3198	-0.0466	-0.0008	0.5021	-0.0038	0.3116	79.6253	15.8524	60.082
3	1.8997	-3.2592	-1.0392	8.5212	-0.2064	8.2942	0.133	0.3888	0.0148	-0.0367	-0.2077	0.4153	0.3371	-1.3186	-0.0314	0.1696	-0.0057	-0.0137	0.5218	-0.0156	0.2431	79.9628	21.0411	53.3787
4	5.1162	1.5064	3.4029	7.2464	1.8009	8.7644	-0.3024	0.0766	0.0701	0.4807	-0.2163	1.2935	0.3978	-1.4333	0.41	0.3089	-0.0255	0.077	0.7625	-0.0555	0.4586	72.8449	19.1856	54.2705
5	2.8375	0.4861	3.536	5.7142	0.9398	4.4605	-0.2882	0.5483	0.6771	-0.2935	0.0297	1.2932	0.0729	-0.4805	0.5736	0.265	0.0007	-0.1371	1.0022	0.0247	0.5329	69.3201	21.0171	49.1784
6	4.6851	0.1153	0.9071	3.0546	-2.3316	3.81	0.0097	0.2545	0.4913	-0.334	0.9014	0.6829	-1.2516	-1.6758	0.4829	0.2945	0.2681	-0.1784	1.2761	0.0724	0.3784	70.4495	24.6221	38.3647
7	3.4351	0.8048	0.2827	2.5494	-0.8981	5.1104	-0.1648	0.2202	0.0992	0.4284	0.0288	0.3608	-1.2637	-0.9686	0.0381	0.4576	0.1974	-0.0418	0.446	-0.0492	0.2693	80.2423	27.693	48.0445
8	5.6756	-1.3018	3.4748	8.2924	2.4169	3.4507	0.7717	1.7954	0.358	-0.5226	0.1969	-0.9183	0.5489	2.7804	-0.5592	0.5863	0.169	-0.0128	0.9581	-0.064	0.5218	95.6568	6.2297	54.9152
9	9.1723	-4.8411	-1.2556	4.8607	-0.2372	7.9786	0.0462	0.2429	0.2599	0.1269	-0.0867	-0.2302	-0.5062	0.0369	0.0162	0.3804	-0.2164	-0.1312	0.4669	0.159	0.3424	54.6289	24.8215	68.1827
10	3.9146	-4.1772	5.6385	4.4457	-6.0093	8.1335	-0.3146	-0.0798	0.1377	-1.704	0.6974	1.194	1.0181	-1.6803	-0.1436	0.9184	-0.4263	-0.3144	1.387	0.1654	0.8441	42.0842	18.3342	73.2311
11	1.684	-0.6148	-0.8708	4.8978	-2.2807	6.6584	-0.0643	0.2677	0.0686	-0.2019	-0.043	0.3346	1.0578	-0.6346	0.2355	0.4213	-0.1821	-0.113	0.4523	0.0571	0.3425	54.4117	15.1686	72.3513
12	6.8707	2.0783	-3.6915	5.5896	-2.0946	8.8915	0.0875	-0.2947	-0.3821	-0.2229	-0.0446	0.149	1.6879	0.1531	-0.0506	0.4738	-0.0968	-0.0755	0.4168	0.0291	0.2693	61.7682	14.3273	79.0382
13	4.2333	-4.5245	-1.0394	5.2379	0.89	6.8153	0.0244	1.3284	0.3045	0.0224	-0.1278	-0.0841	0.7648	0.9755	0.0896	0.3138	-0.205	-0.2006	0.4874	0.0892	0.5803	64.8812	19.2067	68.5658
14	5.9219	5.2415	-6.9517	4.6995	-6.0904	8.214	-0.2311	0.3639	1.4264	1.392	-0.363	-1.0601	-1.6106	0.5315	0.7865	0.859	-0.247	-0.2965	0.4825	0.1994	0.8726	53.4712	40.7834	67.9434
15	4.8685	-4.1254	4.505	3.4967	-3.7393	4.3658	-0.5039	-0.6329	0.4496	0.4838	-0.1004	-0.5391	-0.2839	0.0144	0.7135	0.2952	0.0419	0.0022	0.3125	-0.0181	0.332	86.2157	44.8569	74.2745
16	8.4049	-2.9449	-2.9522	6.9344	1.0729	9.29	0.4181	1.015	0.3979	-0.2855	-0.5071	0.0566	0.0893	0.0422	0.1259	0.3101	0.1016	0.0048	0.3211	0.0368	0.2564	85.8791	42.4222	61.9814
17	5.182	-1.8594	-0.4462	8.5804	2.684	8.437	-0.2862	-0.251	0.2915	-0.1612	-0.1566	-0.2686	0.5498	0.9229	0.3931	0.2069	0.0817	0.0454	0.2824	0.1192	0.2551	90.666	40.3044	68.7842
18	5.4197	-2.9044	5.0841	4.0757	-2.4122	4.794	0.1304	-0.9882	-0.4834	-0.6299	0.0771	2.0112	0.2845	-1.7512	-0.4391	0.4306	-0.0966	0.0542	0.7785	-0.0081	0.8175	75.9102	35.1914	73.3743
19	6.0568	-0.5391	-0.0167	2.1628	1.4253	4.7162	0.0829	0.2457	-0.7478	-0.4803	-0.5284	-0.179	1.3858	0.5781	0.408	0.4437	0.1473	0.1905	0.2693	0.0911	0.3825	88.4459	33.1606	68.4995
20	9.5741	3.7663	4.0019	6.0905	1.026	6.1876	0.31	-1.1158	-0.8164	1.4652	0.0502	0.262	0.0752	-0.49	-0.3437	0.5668	0.0315	0.1018	0.3424	0.1414	0.3834	89.0746	30.3305	83.7089
21	4.9457	2.9164	-2.8162	3.0446	-0.8363	3.8627	0.3301	-0.3593	0.106	0.5568	-0.0518	0.0875	0.0055	0.3356	-0.2034	0.3923	0.1231	0.0261	0.2909	0.1089	0.2852	96.3195	35.8971	79.0966
22	2.1532	0.9924	0.2108	1.9249	-3.4617	9.9206	0.4135	0.752	-1.3056	-1.5884	-0.8917	0.1592	2.2842	-0.1884	0.6628	0.83	0.1598	-0.0317	0.6682	-0.0402	0.4799	99.2554	28.9654	73.9066
23	1.0047	-1.2847	-0.3313	1.6365	0.4119	0.1079	1.0294	1.7548	-0.3644	-1.1492	-0.615	0.2744	1.2122	1.168	0.0726	0.904	0.4905	-0.0872	1.0602	0.0069	0.4341	98.8177	31.45	68.3815
24	1.1419	-0.09	2.1155	1.287	2.4739	9.4251	-0.0081	0.2377	0.5156	-0.3182	-0.0635	-0.6667	0.4231	1.6242	0.1312	0.2202	0.0033	0.0853	0.3094	0.1493	0.4513	96.5244	43.7587	68.7032
25	3.7384	-2.1415	-1.0484	3.0036	0.6194	0.279	-0.7027	0.0894	1.7026	0.4117	0.542	0.2632	-2.3989	0.2575	0.2649	0.8032	-0.0007	-0.1798	0.2543	0.0359	0.6272	85.5951	58.7065	67.7366
26	4.6858	3.9907	-4.3175	3.632	-3.5606	4.0049	-0.212	0.8516	0.1042	-0.1315	-0.2283	-0.2962	0.0798	0.7848	0.5261	0.3281	-0.1578	-0.0173	0.7868	0.1723	0.3744	48.8958	32.5463	48.5204
27	2.3861	0.0407	-1.6153	8.3693	-1.8179	4.0053	-0.1031	-0.0779	-0.0815	1.1764	-0.2338	-0.2364	-0.516	0.3181	0.2804	0.4347	-0.1793	-0.1146	0.5128	0.1843	0.3943	48.2678	36.8678	56.587
28	6.7798	1.3417	-1.749	7.7922	-2.607	6.5864	-0.0378	0.0465	-1.6544	0.3308	0.5375	1.0559	0.8209	-0.6287	0.1254	0.5137	-0.2623	0.0342	0.7387	0.1275	0.8669	36.4435	29.5707	48.425
29	6.1153	-1.1652	2.4521	8.2868	0.3619	4.6035	-0.6941	-0.2995	0.5043	1.354	0.0955	0.2545	-0.8743	-0.128	0.5469	0.5773	-0.2186	-0.125	0.6185	0.1698	0.3659	44.2608	42.9364	56.9879
30	7.6351	4.2548	5.3342	3.3999	4.4941	5.951	-0.582	0.2947	-0.073	-0.1727	-0.071	0.6278	-0.7047	-0.4979	0.4497	0.3351	-0.1382	-0.062	0.6728	0.0758	0.4525	37.8271	39.8593	48.6473
31	5.8943	-0.718	2.5135	6.7347	0.5833	8.3917	0.1115	0.6171	0.2059	-0.8907	-0.2036	0.8473	-0.421	-2.0231	0.1744	0.3819	-0.0231	-0.0728	0.7574	0.1085	0.3529	39.0003	43.5534	38.0574
32	6.7342	5.3366	0.0016	5.7153	3.1425	7.7664	-0.0437	-0.266	-0.1979	-0.3353	0.1236	-0.0174	-0.7888	-0.6566	-0.1348	0.2742	-0.0034	-0.0523	0.3945	0.1117	0.2285	47.3774	47.0623	42.7861
33	8.1802	-0.2955	-5.999	1.8707	-0.1422	4.4635	-0.755	1.4858	0.138	0.0405	0.5397	0.747	0.9909	-4.5045	0.3002	0.7475	-0.0173	-0.0281	0.8983	-0.0713	0.3172	43.7355	52.6021	48.7586
34	9.7313	5.2008	-4.8118	3.9135	-5.108	8.0649	2.1634	0.5366	2.1199	1.1598	0.023	0.2757	-3.2865	-1.3586	-1.609	1.1369	0.038	-0.0248	0.6197	0.2298	0.7027	45.9203	51.5449	53.743
35	2.6635	-0.6399	0.368	2.4767	-1.1294	0.5175	-0.0469	0.3791	0.0666	0.2613	-0.027	-0.484	-0.2414	0.0837	0.2896	-0.0718	-0.6437	-0.615	0.4365	0.329	0.7251	54.6276	42.9763	52.7494
36	5.4092	-6.6929	-2.6224	9.1753	5.9423	9.3741	0.0487	0.0291	0.9365	0.1851	-0.6287	-2.8333	0.161	2.0812	0.4197	0.5214	0.0217	-0.0787	0.8493	0.4115	1.0714	61.5742	25.3007	53.6447
37	6.0913	-4.6979	-1.2863	4.1079	-1.0796	8.9789	-0.3984	-0.3778	0.097	0.6174	-0.056	-0.0329	0.5023	-1.1148	0.5798	0.6201	-0.2063	0.0387	0.406	-0.0097	0.2799	85.1231	8.5093	73.9691
38	8.1966	-2.2984	0.1499	4.908	3.8526	4.9215	0.7538	0.7119	0.1183	-0.4794	-0.5974	0.3664	0.4089	-0.4664	-0.0873	0.6192	-0.0751	-0.0116	0.4192	-0.0132	0.2251	85.3182	6.403	62.4121
39	4.5991	-0.3607	0.783	6.3684	-3.6916	4.5919	0.3279	0.1523	-0.0019	-0.2028	-0.2689	0.0051	1.8461	-0.3406	0.0189	0.638	-0.1692	-0.0147	0.4444	-0.0522	0.2168	89.9465	4.408	69.3387
40	1.9607	-0.5036	0.9778	2.227	-3.5616	5.7034	0.892	-0.2777	-1.1295	-0.6771	-0.7091	0.9015	1.512	-2.7637	-0.2717	0.9844	-0.3486	-0.0614	1.1469	-0.1238	0.7756	74.4148	-0.3703	73.4443
41	4.6406	1.5326	-2.9849	3.7053	-4.2085	5.2177	0.0761	0.2821	-0.6432	-0.1389	-0.8058	-0.5984	1.8565	-0.2082	-0.8033	1.2472	-0.1057	-0.0634	0.4294	-0.1067	0.1232	90.5855	-1.0042	65.2024
42	3.7957	-1.2427	0.011	2.4199	2.9564	4.3702	-0.1814	-0.3316	-0.8126	-0.3112	-0.5335	0.8129	1.2561	-0.7032	0.1534	1.276	-0.32	-0.0351	0.4548	-0.094	0.3826	83.8685	-4.2968	73.6936
43	3.8226	-1.3724	-0.2549	4.9431	0.5839	5.5325	-0.6532	-1.1964	-0.3102	0.3159	-0.1777	0.2655	0.9114	0.3199	-0.3962	1.363	-0.4544	0.2145	0.6454	0.2688	0.1204	84.9512	-4.6852	84.6153
44	3.4732	2.688	-0.6682	3.6411	2.0733	5.2795	0.0863	-0.8013	-0.7223	-0.0532	-0.7043	-0.2992	1.9156	1.0391	0.0508	1.3339	-0.2087	-0.0321	0.4473	0.0102	0.2946	93.6015	-3.1765	80.899
45	2.1261	1.0278	-0.9557	1.6467	-0.9103	4.9964	-0.2008	0.1042	-0.4603	-1.5669	-0.3177	0.1198	0.3988	0.3923	-0.2249	2.2189	0.0755	0.1946	0.4901	0.1501	0.3823	97.6308	-6.9576	72.9822
46	6.977	-2.1183	0.2463	6.0081	3.4954	2.7136	0.0966	0.4375	-0.7538	0.518	0.0268	-0.239	1.6233	0.8913	0.0007	0.7893	0.0767	0.004	0.4815	-0.0194	0.3768	97.1957	1.2863	68.9912
47	1.2221	-2.1662	2.5512	4.4973	-5.5341	6.804	-0.4569	-0.2156	0.4706	1.4834	0.6053	-0.2996	-1.7275	0.2526	0.1408	0.7101	-0.0122	0.0094	0.5083	-0.0194	0.3728	84.6948	22.6369	68.531
48	8.5133	5.4887	-5.9598	3.698	-3.9281	4.3167	-0.2535	-0.1055	0.3135	-0.2346	0.0055	0.0589	0.6419	0.4693	0.322	0.2688	0.0247	-0.0087	0.3264	0.0294	0.2758	81.1918	49.9413	48.4656
49	7.6926	-1.4322	0.7277	7.8675	-3.1577	7.2108	-0.0574	-0.3074	-0.1487	0.7278	0.1417	-0.0404	-0.7703	0.1244	-0.1061	0.2777	0.0754	0.0168	0.2277	-0.0131	0.2268	80.3549	54.1645	56.5478
50	4.4618	5.1909	-5.1243	6.1731	-5.988	5.9085	-0.0493	-1.3586	-1.8061	0.7118	0.7009	1.8841	1.551	-3.0532	-0.5577	0.9397	-0.3039	0.1509	1.0339	0.126	0.9415	69.0434	45.953	48.5273
51	8.1279	0.9713	4.58	6.2101	2.5108	6.302	-0.2179	-0.2005	0.0448	0.3177	0.0009	0.3635	-0.3431	-0.7125	0.2769	0.304	0.1117	0.0516	0.3451	0.0068	0.2282	72.57	57.9344	49.3796
52	3.6314	-0.5934	-3.6468	7.5929	1.7651	3.8824	-0.7303	1.1357	0.7707	-0.9335	0.4975	0.6253	-0.9784	-0.8814	0.2899	0.5058	0.0266	-0.1433	0.7853	-0.0221	0.4038	71.0881	62.5262	38.6444
53	7.991	0.7911	4.0264	8.6014	-0.6569	9.6028	-0.4166	0.44	0.1066	-0.0427	0.0496	0.2751	-1.3581	-0.0776	0.3072	0.3993	-0.0025	-0.0129	0.4425	-0.0029	0.1994	77.3874	65.7233	44.7568
54	7.0064	1.083	2.0292	7.213	-0.5757	9.1687	-0.1456	-0.8	0.5725	1.2094	0.0142	-0.2704	-1.1691	-0.1625	0.2802	0.4869	-0.0514	-0.0063	0.3191	0.0171	0.3209	81.4205	64.7059	53.238
55	4.428	-0.5954	4.2696	2.9722	-4.2009	9.1566	0.1687	0.755	0.9592	-0.068	-1.8758	-2.7224	0.3328	1.9651	1.7116	0.4095	0.0908	0.0667	0.7562	0.2186	0.6458	94.0839	43.5459	53.3419

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	chain 'F' and (resid 178 through 187 )	F	178 - 187
2	X-RAY DIFFRACTION	2	chain 'F' and (resid 188 through 198 )	F	188 - 198
3	X-RAY DIFFRACTION	3	chain 'F' and (resid 199 through 208 )	F	199 - 208
4	X-RAY DIFFRACTION	4	chain 'F' and (resid 209 through 226 )	F	209 - 226
5	X-RAY DIFFRACTION	5	chain 'F' and (resid 227 through 235 )	F	227 - 235
6	X-RAY DIFFRACTION	6	chain 'F' and (resid 236 through 248 )	F	236 - 248
7	X-RAY DIFFRACTION	7	chain 'F' and (resid 249 through 275 )	F	249 - 275
8	X-RAY DIFFRACTION	8	chain 'F' and (resid 276 through 280 )	F	276 - 280
9	X-RAY DIFFRACTION	9	chain 'C' and (resid 178 through 208 )	C	178 - 208
10	X-RAY DIFFRACTION	10	chain 'C' and (resid 209 through 215 )	C	209 - 215
11	X-RAY DIFFRACTION	11	chain 'C' and (resid 216 through 241 )	C	216 - 241
12	X-RAY DIFFRACTION	12	chain 'C' and (resid 242 through 263 )	C	242 - 263
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 264 through 273 )	C	264 - 273
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 274 through 280 )	C	274 - 280
15	X-RAY DIFFRACTION	15	chain 'A' and (resid 178 through 187 )	A	178 - 187
16	X-RAY DIFFRACTION	16	chain 'A' and (resid 188 through 198 )	A	188 - 198
17	X-RAY DIFFRACTION	17	chain 'A' and (resid 199 through 208 )	A	199 - 208
18	X-RAY DIFFRACTION	18	chain 'A' and (resid 209 through 215 )	A	209 - 215
19	X-RAY DIFFRACTION	19	chain 'A' and (resid 216 through 235 )	A	216 - 235
20	X-RAY DIFFRACTION	20	chain 'A' and (resid 236 through 248 )	A	236 - 248
21	X-RAY DIFFRACTION	21	chain 'A' and (resid 249 through 258 )	A	249 - 258
22	X-RAY DIFFRACTION	22	chain 'A' and (resid 259 through 263 )	A	259 - 263
23	X-RAY DIFFRACTION	23	chain 'A' and (resid 264 through 268 )	A	264 - 268
24	X-RAY DIFFRACTION	24	chain 'A' and (resid 269 through 273 )	A	269 - 273
25	X-RAY DIFFRACTION	25	chain 'A' and (resid 274 through 280 )	A	274 - 280
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 180 through 187 )	D	180 - 187
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 188 through 208 )	D	188 - 208
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 209 through 215 )	D	209 - 215
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 216 through 226 )	D	216 - 226
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 227 through 235 )	D	227 - 235
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 236 through 248 )	D	236 - 248
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 249 through 258 )	D	249 - 258
33	X-RAY DIFFRACTION	33	chain 'D' and (resid 259 through 263 )	D	259 - 263
34	X-RAY DIFFRACTION	34	chain 'D' and (resid 264 through 268 )	D	264 - 268
35	X-RAY DIFFRACTION	35	chain 'D' and (resid 269 through 273 )	D	269 - 273
36	X-RAY DIFFRACTION	36	chain 'D' and (resid 274 through 280 )	D	274 - 280
37	X-RAY DIFFRACTION	37	chain 'E' and (resid 179 through 187 )	E	179 - 187
38	X-RAY DIFFRACTION	38	chain 'E' and (resid 188 through 198 )	E	188 - 198
39	X-RAY DIFFRACTION	39	chain 'E' and (resid 199 through 208 )	E	199 - 208
40	X-RAY DIFFRACTION	40	chain 'E' and (resid 209 through 215 )	E	209 - 215
41	X-RAY DIFFRACTION	41	chain 'E' and (resid 216 through 226 )	E	216 - 226
42	X-RAY DIFFRACTION	42	chain 'E' and (resid 227 through 235 )	E	227 - 235
43	X-RAY DIFFRACTION	43	chain 'E' and (resid 236 through 241 )	E	236 - 241
44	X-RAY DIFFRACTION	44	chain 'E' and (resid 242 through 258 )	E	242 - 258
45	X-RAY DIFFRACTION	45	chain 'E' and (resid 259 through 263 )	E	259 - 263
46	X-RAY DIFFRACTION	46	chain 'E' and (resid 264 through 273 )	E	264 - 273
47	X-RAY DIFFRACTION	47	chain 'E' and (resid 274 through 280 )	E	274 - 280
48	X-RAY DIFFRACTION	48	chain 'B' and (resid 180 through 187 )	B	180 - 187
49	X-RAY DIFFRACTION	49	chain 'B' and (resid 188 through 208 )	B	188 - 208
50	X-RAY DIFFRACTION	50	chain 'B' and (resid 209 through 215 )	B	209 - 215
51	X-RAY DIFFRACTION	51	chain 'B' and (resid 216 through 241 )	B	216 - 241
52	X-RAY DIFFRACTION	52	chain 'B' and (resid 242 through 248 )	B	242 - 248
53	X-RAY DIFFRACTION	53	chain 'B' and (resid 249 through 263 )	B	249 - 263
54	X-RAY DIFFRACTION	54	chain 'B' and (resid 264 through 273 )	B	264 - 273
55	X-RAY DIFFRACTION	55	chain 'B' and (resid 274 through 280 )	B	274 - 280

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