PDB-9cbs: Crystal structure of Chaetomium thermophilum Gcn2 HisRS-like doma...

ID or keywords:

Entry

Database: PDB / ID: 9cbs

Title

Crystal structure of Chaetomium thermophilum Gcn2 HisRS-like domain, catalytic domain

Components

non-specific serine/threonine protein kinase

Keywords

TRANSLATION / stress response / gcn2 / tRNA-binding / regulatory

Function / homology

Function and homology information

negative regulation of G2/MI transition of meiotic cell cycle / eukaryotic translation initiation factor 2alpha kinase activity / DNA damage checkpoint signaling / non-specific serine/threonine protein kinase / ATP binding / nucleus / cytoplasm
Similarity search - Function

Biological species

Thermochaetoides thermophila (fungus)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.69 Å

Authors

Zhang, J.

Funding support

United States, 1items

Citation

Journal: Proc.Natl.Acad.Sci.USA / Year: 2024
Title: Gcn2 structurally mimics and functionally repurposes the HisRS enzyme for the integrated stress response.
Authors: Bou-Nader, C. / Gaikwad, S. / Bahmanjah, S. / Zhang, F. / Hinnebusch, A.G. / Zhang, J.

History

Deposition	Jun 20, 2024	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Aug 21, 2024	Provider: repository / Type: Initial release
Revision 1.1	Sep 4, 2024	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_PubMed / _citation.title / _citation_author.identifier_ORCID
Revision 1.2	Sep 11, 2024	Group: Database references / Category: citation / citation_author Item: _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID
Revision 1.3	Sep 18, 2024	Group: Database references / Category: citation / citation_author Item: _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID
Revision 1.4	Oct 23, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Summary document	9cbs_validation.pdf.gz	448.5 KB	Display	wwPDB validaton report
Full document	9cbs_full_validation.pdf.gz	459.2 KB	Display
Data in XML	9cbs_validation.xml.gz	43.4 KB	Display
Data in CIF	9cbs_validation.cif.gz	60.2 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/cb/9cbs ftp://data.pdbj.org/pub/pdb/validation_reports/cb/9cbs	HTTPS FTP

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Related structure data

Related structure data	9c9qC 9c9rC C: citing same article (ref.)
Similar structure data	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	#16 - Apr 2001 Aminoacyl-tRNA Synthetases similarity (2) #234 - Jun 2019 MDM2 and Cancer similarity (1) #60 - Dec 2004 Ubiquitin similarity (1)

Deposited unit

A: non-specific serine/threonine protein kinase

B: non-specific serine/threonine protein kinase

C: non-specific serine/threonine protein kinase

D: non-specific serine/threonine protein kinase

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

1

A: non-specific serine/threonine protein kinase

defined by author
Evidence: light scattering, SEC-MALS shows monomer in solution
37.6 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: non-specific serine/threonine protein kinase

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

3

C: non-specific serine/threonine protein kinase

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

4

D: non-specific serine/threonine protein kinase

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

Unit cell

Length a, b, c (Å)	126.091, 132.554, 138.961
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	19
Space group name H-M	P2₁2₁2₁
Space group name Hall	P2ac2ab
Symmetry operation	#1: x,y,z #2: x+1/2,-y+1/2,-z #3: -x,y+1/2,-z+1/2 #4: -x+1/2,-y,z+1/2

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
d_1	ens_1	(chain "A" and (resid 1037 through 1038 or resid 1040...
d_2	ens_1	(chain "B" and (resid 1037 through 1038 or resid 1040...
d_3	ens_1	(chain "C" and (resid 1037 through 1038 or resid 1040...
d_4	ens_1	(chain "D" and (resid 1037 through 1038 or resid 1040...

NCS domain segments:

Ens-ID: ens_1

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
d_1	1	LEU	LEU	MSE	MSE	A	A	1037 - 1038	9 - 10
d_1	2	ARG	ARG	VAL	VAL	A	A	1040 - 1043	12 - 15
d_1	3	ASP	ASP	ARG	ARG	A	A	1045 - 1052	17 - 24
d_1	4	HIS	HIS	VAL	VAL	A	A	1054 - 1076	26 - 48
d_1	5	LEU	LEU	ASP	ASP	A	A	1078 - 1080	50 - 52
d_1	6	ASN	ASN	PHE	PHE	A	A	1082 - 1119	54 - 91
d_1	7	ASP	ASP	ASP	ASP	A	A	1121	93
d_1	8	ASP	ASP	ALA	ALA	A	A	1124 - 1143	96 - 115
d_1	9	ASP	ASP	ARG	ARG	A	A	1145 - 1196	117 - 168
d_1	10	ALA	ALA	THR	THR	A	A	1198 - 1212	170 - 184
d_1	11	LYS	LYS	VAL	VAL	A	A	1215 - 1216	187 - 188
d_1	12	SER	SER	ILE	ILE	A	A	1218 - 1251	190 - 223
d_1	13	ASN	ASN	ASP	ASP	A	A	1253 - 1262	225 - 234
d_1	14	VAL	VAL	VAL	VAL	A	A	1264 - 1283	236 - 255
d_1	15	THR	THR	ARG	ARG	A	A	1285 - 1312	257 - 284
d_1	16	VAL	VAL	HIS	HIS	A	A	1314 - 1331	286 - 303
d_1	17	PRO	PRO	PRO	PRO	A	A	1333	305
d_1	18	ARG	ARG	ALA	ALA	A	A	1342 - 1356	314 - 328
d_2	1	LEU	LEU	MSE	MSE	B	B	1037 - 1038	9 - 10
d_2	2	ARG	ARG	VAL	VAL	B	B	1040 - 1043	12 - 15
d_2	3	ASP	ASP	ARG	ARG	B	B	1045 - 1052	17 - 24
d_2	4	HIS	HIS	VAL	VAL	B	B	1054 - 1076	26 - 48
d_2	5	LEU	LEU	ASP	ASP	B	B	1078 - 1080	50 - 52
d_2	6	ASN	ASN	PHE	PHE	B	B	1082 - 1119	54 - 91
d_2	7	ASP	ASP	ASP	ASP	B	B	1121	93
d_2	8	ASP	ASP	ALA	ALA	B	B	1124 - 1143	96 - 115
d_2	9	ASP	ASP	ARG	ARG	B	B	1145 - 1196	117 - 168
d_2	10	ALA	ALA	THR	THR	B	B	1198 - 1212	170 - 184
d_2	11	LYS	LYS	VAL	VAL	B	B	1215 - 1216	187 - 188
d_2	12	SER	SER	ILE	ILE	B	B	1218 - 1251	190 - 223
d_2	13	ASN	ASN	ASP	ASP	B	B	1253 - 1262	225 - 234
d_2	14	VAL	VAL	VAL	VAL	B	B	1264 - 1283	236 - 255
d_2	15	THR	THR	ARG	ARG	B	B	1285 - 1312	257 - 284
d_2	16	VAL	VAL	HIS	HIS	B	B	1314 - 1331	286 - 303
d_2	17	PRO	PRO	PRO	PRO	B	B	1333	305
d_2	18	ARG	ARG	ALA	ALA	B	B	1342 - 1356	314 - 328
d_3	1	LEU	LEU	MSE	MSE	C	C	1037 - 1038	9 - 10
d_3	2	ARG	ARG	VAL	VAL	C	C	1040 - 1043	12 - 15
d_3	3	ASP	ASP	ARG	ARG	C	C	1045 - 1052	17 - 24
d_3	4	HIS	HIS	VAL	VAL	C	C	1054 - 1076	26 - 48
d_3	5	LEU	LEU	ASP	ASP	C	C	1078 - 1080	50 - 52
d_3	6	ASN	ASN	PHE	PHE	C	C	1082 - 1119	54 - 91
d_3	7	ASP	ASP	ASP	ASP	C	C	1121	93
d_3	8	ASP	ASP	ALA	ALA	C	C	1124 - 1143	96 - 115
d_3	9	ASP	ASP	ARG	ARG	C	C	1145 - 1196	117 - 168
d_3	10	ALA	ALA	THR	THR	C	C	1198 - 1212	170 - 184
d_3	11	LYS	LYS	VAL	VAL	C	C	1215 - 1216	187 - 188
d_3	12	SER	SER	ILE	ILE	C	C	1218 - 1251	190 - 223
d_3	13	ASN	ASN	ASP	ASP	C	C	1253 - 1262	225 - 234
d_3	14	VAL	VAL	VAL	VAL	C	C	1264 - 1283	236 - 255
d_3	15	THR	THR	ARG	ARG	C	C	1285 - 1312	257 - 284
d_3	16	VAL	VAL	HIS	HIS	C	C	1314 - 1331	286 - 303
d_3	17	PRO	PRO	PRO	PRO	C	C	1333	305
d_3	18	ARG	ARG	ALA	ALA	C	C	1342 - 1356	314 - 328
d_4	1	LEU	LEU	MSE	MSE	D	D	1037 - 1038	9 - 10
d_4	2	ARG	ARG	VAL	VAL	D	D	1040 - 1043	12 - 15
d_4	3	ASP	ASP	ARG	ARG	D	D	1045 - 1052	17 - 24
d_4	4	HIS	HIS	VAL	VAL	D	D	1054 - 1076	26 - 48
d_4	5	LEU	LEU	ASP	ASP	D	D	1078 - 1080	50 - 52
d_4	6	ASN	ASN	PHE	PHE	D	D	1082 - 1119	54 - 91
d_4	7	ASP	ASP	ASP	ASP	D	D	1121	93
d_4	8	ASP	ASP	ALA	ALA	D	D	1124 - 1143	96 - 115
d_4	9	ASP	ASP	ARG	ARG	D	D	1145 - 1196	117 - 168
d_4	10	ALA	ALA	THR	THR	D	D	1198 - 1212	170 - 184
d_4	11	LYS	LYS	VAL	VAL	D	D	1215 - 1216	187 - 188
d_4	12	SER	SER	ILE	ILE	D	D	1218 - 1251	190 - 223
d_4	13	ASN	ASN	VAL	VAL	D	D	1253 - 1283	225 - 255
d_4	14	THR	THR	ARG	ARG	D	D	1285 - 1312	257 - 284
d_4	15	VAL	VAL	HIS	HIS	D	D	1314 - 1331	286 - 303
d_4	16	PRO	PRO	PRO	PRO	D	D	1333	305
d_4	17	ARG	ARG	ALA	ALA	D	D	1342 - 1356	314 - 328

NCS oper:

ID	Code	Matrix	Vector
1	given	(0.00917028824804, -0.710790694439, -0.703343795389), (0.989562307742, -0.0947082303898, 0.108613029574), (-0.143813576933, -0.696998522089, 0.702503178139)	-22.5532414095, 3.28234619145, -63.893044705
2	given	(-0.106413860496, -0.700410031383, 0.705763330184), (0.994300915309, -0.0703432438933, 0.0801094117696), (-0.00646375354546, 0.710265876962, 0.703903831438)	-27.9777942105, 37.479117831, -12.783042264
3	given	(0.996430684258, -0.0129096172458, 0.0834220189879), (0.0834188636719, -0.000783638683682, -0.996514264371), (0.0129299904541, 0.999916360349, 0.00029606397129)	30.4079317023, -30.4070758757, 34.7285470743

#1: Protein	non-specific serine/threonine protein kinase Mass: 37607.957 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Thermochaetoides thermophila (fungus) / Gene: CTHT_0028700 / Production host: Escherichia coli B (bacteria) References: UniProt: G0S7T0, non-specific serine/threonine protein kinase
#2: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 77 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	N
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: 3.86 Å³/Da / Density % sol: 68.17 % / Description: plates
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 0.15 M MgCl2, 0.15 M CaCl2, 100 mM HEPES pH 7.5, 20% v/v PEG 500 MME, and 5% PEG 20000

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Dec 17, 2016
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.69→50 Å / Num. obs: 65096 / % possible obs: 98.8 % / Redundancy: 33.2 % / B_iso Wilson estimate: 56.61 Å² / R_merge(I) obs: 0.21 / R_pim(I) all: 0.037 / Net I/σ(I): 48.1
Reflection shell	Resolution: 2.69→2.74 Å / Redundancy: 20 % / R_merge(I) obs: 1.27 / Mean I/σ(I) obs: 4 / Num. unique obs: 3228 / CC_1/2: 0.916 / CC star: 0.978 / R_pim(I) all: 0.283 / % possible all: 93.8

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Processing

Software

Name	Version	Classification
HKL-2000		data reduction
HKL-2000		data scaling
SHELXD		phasing
PHENIX	1.20.1-4487	refinement

Refinement

Method to determine structure:

SAD / Resolution: 2.69→35.49 Å / SU ML: 0.3207 / Cross valid method: FREE R-VALUE / σ(F): 0.38 / Phase error: 22.9015
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2096	1991	3.09 %
R_work	0.1769	62436	-
obs	0.1779	64427	98.82 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso mean: 66.88 Å²

Refinement step

Cycle: LAST / Resolution: 2.69→35.49 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	10114	0	0	77	10191

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0037	10346
X-RAY DIFFRACTION	f_angle_d	0.7007	14008
X-RAY DIFFRACTION	f_chiral_restr	0.0455	1557
X-RAY DIFFRACTION	f_plane_restr	0.0069	1805
X-RAY DIFFRACTION	f_dihedral_angle_d	4.8395	1404

Refine LS restraints NCS

Ens-ID	Dom-ID	Asym-ID	Auth asym-ID	Refine-ID	Type	Rms dev position (Å)
ens_1	d_2	A	A	X-RAY DIFFRACTION	Torsion NCS	0.661752681539
ens_1	d_3	A	A	X-RAY DIFFRACTION	Torsion NCS	0.690743317386
ens_1	d_4	A	A	X-RAY DIFFRACTION	Torsion NCS	0.826758316119

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
2.69-2.76	0.3146	138	0.2562	4107	X-RAY DIFFRACTION	92.62
2.76-2.83	0.288	130	0.2355	4336	X-RAY DIFFRACTION	97.21
2.83-2.92	0.298	146	0.2306	4353	X-RAY DIFFRACTION	98
2.92-3.01	0.2949	145	0.2335	4406	X-RAY DIFFRACTION	98.4
3.01-3.12	0.2661	130	0.2229	4416	X-RAY DIFFRACTION	99.08
3.12-3.24	0.263	148	0.2136	4464	X-RAY DIFFRACTION	99.46
3.24-3.39	0.2652	136	0.2031	4485	X-RAY DIFFRACTION	99.55
3.39-3.57	0.2243	139	0.1959	4463	X-RAY DIFFRACTION	99.76
3.57-3.79	0.2111	153	0.1719	4482	X-RAY DIFFRACTION	99.94
3.79-4.08	0.1824	137	0.163	4519	X-RAY DIFFRACTION	99.83
4.08-4.49	0.1528	144	0.1376	4519	X-RAY DIFFRACTION	100
4.49-5.14	0.1675	145	0.1399	4544	X-RAY DIFFRACTION	99.98
5.14-6.47	0.222	143	0.1878	4594	X-RAY DIFFRACTION	99.98
6.47-35.49	0.1768	157	0.1553	4748	X-RAY DIFFRACTION	99.49

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	2.95829175936	-1.10264977791	0.406855176712	1.79403238597	-1.0202316939	2.42545348876	-0.0603971242208	0.134286284171	-0.270298054286	-0.0559373533038	0.0102171425006	0.123857761511	0.160625339514	0.13011677428	0.0636688650203	0.370505973519	-0.0374763553163	0.0574484108344	0.327796971496	0.00896480084674	0.363666829369	-46.676	-29.251	11.181
2	3.14693876948	0.322744018582	-0.498449169852	2.34134422302	-0.115920953613	1.02538584894	-0.0141239500337	0.0820233681535	0.182571706343	-0.0337429745828	0.0588498538364	0.164019867336	0.0578006424164	0.0448852191535	-0.0368197245242	0.379051975909	-0.0265199671932	0.0505325178043	0.39878022211	-0.0398101571665	0.311755566637	-40.276	-20.469	6.494
3	2.81684760837	0.0757601357859	0.00791600932851	2.53218680276	0.220654977443	1.88697040827	0.00210164264295	-0.146755442161	0.256753972095	0.0952886035242	0.0254782680882	-0.145812946262	-0.197558882014	0.244600742156	-0.0164743799807	0.458778280364	-0.0628076594459	0.0910276161341	0.401323341653	-0.0309804131276	0.400898380926	-26.441	-12.727	10.346
4	6.67353525148	-0.357483157726	1.08599452222	2.74760532858	-2.62859510682	2.94641648532	0.442533890749	0.304137280529	-0.442585136219	-0.239153886211	-0.341025607883	-0.129689065583	0.264145657817	0.0967209547799	-0.112893344231	0.399935985346	-0.117151738377	-0.0823477840007	0.297852796509	-0.0160834285349	0.357273501199	-39.192	-27.465	5.796
5	3.20886911639	3.07976083584	-3.98830420276	2.96838010181	-3.71834304545	5.8726170325	-0.175012132962	0.333958492208	-0.524009916403	0.265869861673	0.070101437304	0.484043203987	0.181180479132	-0.610566245467	0.235314973182	0.714503572616	-0.0120497206361	-0.0039016502803	0.467253067782	-0.0272973381904	0.708336959811	-15.901	-52.028	-35.473
6	2.98142183402	-2.43434452553	-1.69041187406	7.40881834426	3.7124947521	5.05936872578	0.160978185228	-0.133329726155	-0.0169596984834	0.596194539033	-0.338580323077	-0.277336238156	0.402381997346	-0.0583867011791	0.221839052495	0.399016709972	-0.0188323356253	-0.116469868301	0.34793917027	0.0127886271925	0.501345733919	-6.618	-34.738	-24.561
7	2.7091635074	-1.44730091232	-1.18573003385	4.53471269769	1.31033941759	3.21357748632	0.069063964856	-0.147242045768	-0.0437218516771	-0.0421884710816	0.0192129768293	0.458056919548	0.0403798610345	-0.145797433708	-0.108852199494	0.389809224141	0.011091227577	-0.0887440946862	0.425270176023	0.0251151972258	0.480282645049	-9.705	-35.584	-26.808
8	2.64127459144	-0.295935160001	1.06833431344	4.30660714803	0.393862711266	4.52027096619	0.338242297614	0.408540299514	-0.016504149686	-0.632509833793	-0.130712749044	0.0583618645254	-0.218436974012	0.197809844653	-0.206225145664	0.530558385931	0.14394930294	-0.0978912520755	0.382031938862	-0.0548899653548	0.386300241473	-7.531	-34.4	-45.589
9	2.3999219968	-2.91074096333	0.410948059661	4.05399168797	-1.37642676957	1.53684818375	-0.00193410648324	0.195569312283	0.141081882748	-1.05973291105	-0.136595451607	0.930196375375	-0.0901109407644	-0.347924089415	0.114727276702	0.635490782454	0.118374154802	-0.212604078768	0.507975687135	-0.0132237622603	0.665028636499	-20.779	-26.741	-44.916
10	4.46646086743	2.97816753573	-0.999016452904	2.96829699148	0.898817077783	2.96336431383	-0.194768434029	-0.0635672934036	0.134310668058	0.101532060367	-0.0282408165177	1.01516449494	0.0574882199741	-0.0987126563379	0.227613449917	0.577570809716	0.0803087376842	-0.198808598307	0.58275605223	-0.0517804529477	1.00329065001	-27.907	-17.126	-35.446
11	4.33263316711	-1.25320516163	0.107357878161	2.52343228869	1.83697568826	2.19379412229	0.149281989108	0.239256483967	0.220610371677	-0.884372545808	-0.308024721856	0.596489670589	-0.488475846304	-0.0308375713609	0.216172707463	0.76236708102	0.0945305879549	-0.304145385613	0.587341724441	0.0467129975966	0.89933799478	-25.432	-13.143	-47.401
12	3.29292195369	-0.718469948785	0.0964403968486	3.38373038026	0.334881845358	4.91947985643	-0.00463469791761	0.222451209776	0.0432414317877	-0.675595472309	-0.154035127547	0.443533487608	-0.186343624282	0.213781135752	0.207145567446	0.612957734837	0.0891206930068	-0.204860703561	0.441701879727	-0.0084665181114	0.58023649521	-14.539	-23.619	-49.717
13	3.96917676551	-1.87451407135	0.423441299155	0.89271725684	-0.351690043651	3.33770437981	-0.0331810733975	0.286124096275	-0.355445934866	-0.565522762746	-0.125499662182	0.837228724137	-0.0138696693304	-0.358601758581	0.153663394296	0.505607005182	0.0579340662674	-0.186195830674	0.353858730673	-0.0582583805129	0.632187286282	-17.373	-29.311	-40.24
14	1.50682667343	0.434860673292	-0.707174972677	7.39664500409	-0.365105127243	3.62141374476	0.000792176774274	-0.204079927182	0.610233708154	-0.129980459837	-0.0795214822953	0.151991777465	-0.115695983854	0.275058664018	0.106271796961	0.427970612702	0.126505129358	-0.141781155028	0.364249025451	-0.070296485862	0.511259434707	-7.477	-31.974	-35.126
15	6.33667653949	-2.56275293647	3.59642972568	1.3374973233	-2.15410504253	3.65654550245	0.523570672777	-0.546391401067	-0.707345102478	-0.456923184426	-0.145530083294	-0.206283364896	0.321687842612	-0.420177669812	-0.459968644032	0.459127706341	-0.0652629976382	-0.0761896462311	0.393202444082	0.125341721799	0.645174683556	-1.294	-18.08	-20.761
16	4.43915163001	3.24645231016	1.03035704864	6.12788420347	0.767197145666	2.85105104265	-0.184450827568	-0.185183659294	-0.261499108944	-0.134955707537	-0.0242852263304	-0.563549804161	0.0666195138128	0.229207465595	0.17420068175	0.442523558302	0.0460926515771	-0.0111362836883	0.38342725572	0.029884572615	0.546131376756	8.416	-2.408	-26.731
17	6.6098917967	2.55930896771	-3.13846149045	7.28351420505	-0.411315955895	4.01045584155	-0.0622825685137	0.367077559719	0.440339768304	-0.617703489863	0.0487090841517	0.583743150128	-0.0146854075929	-0.300495352196	-0.0381530849448	0.415350537903	-0.0288926453206	-0.0956075793967	0.385047542439	-0.0581565004044	0.488644622481	-11.555	-0.349	-28.336
18	2.56605466921	-0.33899635511	0.00999884132643	1.21909815157	0.611139188526	2.67384542187	0.0129135119246	-0.295845624546	0.163364920942	0.504888006419	0.133927971143	0.693138417504	-0.45424198666	-0.182501450186	-0.103151410688	0.438947217796	0.0111060158173	-0.0108473668634	0.370983972206	-0.0877585986036	0.427281161503	-10.191	6.78	-14.642
19	3.42417132256	1.6039559817	-0.871775521566	2.32303696299	-2.83065776653	4.72968693529	0.15981128341	-0.402098370372	-0.103576126235	0.924946674074	-0.45612510118	-0.380013543468	-0.323747636906	0.0801537737797	0.209200132134	0.72215824005	-0.146068927326	0.0257305542461	0.568298228529	-0.0729901414881	0.399120191871	-0.435	15.663	-7.325
20	3.31085809864	1.19209044718	-0.152271992765	4.92929175684	0.848699124643	3.18219061347	0.233814105353	-0.117380397734	0.61713674788	0.218401959154	-0.183131660704	0.956914060091	-0.422523850273	-0.333015056923	-0.0189645944445	0.521407867514	0.0602144430715	0.0405070068721	0.413911444557	-0.0501876419982	0.600842506192	-13.635	14.843	-15.866
21	2.37268293678	1.74846930891	-2.60446244868	4.6450207462	-2.65324499121	5.95612427328	0.00372958930601	-0.20151396214	0.172919710891	0.303743799135	-0.0832856452068	0.248256635381	-0.130282215232	-0.304977828006	0.0621471857861	0.405517289805	-0.0182031723864	-0.0697643159776	0.383259918144	-0.0234646021311	0.4641146069	-5.6	4.064	-17.949
22	3.71070207824	0.756306556439	-0.761886497088	4.00905977772	-2.01757095741	2.93477236505	0.204176324747	0.04464319651	-0.172365539663	-0.0623711015251	-0.366009743344	0.0389674359839	0.109079258215	0.411600991647	0.106629700915	0.432652933226	0.0123559119408	-0.0803839040366	0.271673971608	-0.0584278283941	0.430469330256	-0.773	-0.889	-25.156
23	6.36083959998	-2.71051396159	-2.89482030168	3.82934010072	1.82375188174	2.84495656078	-0.111991636551	0.00704315564476	-0.209070866642	-0.0818676694454	0.131968242967	-0.116602669311	0.013075138085	-0.167602253603	0.00518181665202	0.385525541303	-0.0306650086104	0.00960257304101	0.456160972471	0.019164219274	0.50714759593	-13.721	-44.442	4.103
24	8.21231916561	-0.738248594258	-0.998615099756	5.61079816078	1.90922832576	5.63549610012	0.113626560899	-0.100370938232	0.0196355094693	0.0373001996762	-0.0672927186765	0.029237102023	0.16445979295	-0.0360075303099	-0.000518602180472	0.359609112303	0.0964160255902	0.117574319042	0.507586064422	0.0667123186358	0.401621362489	-13.378	-43.076	5.855
25	5.65352788064	-1.85944610567	-0.731918030447	1.58090300284	-0.752783033947	1.37547094039	-0.2292963582	-1.44037729542	0.275710865723	0.305215550653	0.308718201806	-0.334269513241	0.144764494542	0.577111233093	-0.0780384472948	0.563408564345	0.132246919985	-0.042131500195	1.11048904195	-0.121756344423	0.649586082381	2.54	-41.965	22.259
26	9.16948096044	-1.15410071403	-4.30504233282	1.40903623856	1.46605682014	5.44673009078	0.20811707513	0.0313109756906	0.662331327173	0.0969058024045	0.306973858065	-0.112766722013	-0.276655510732	-0.0306122853476	-0.473271142715	0.355376283811	0.0863479983956	-0.0668034877146	0.425185850229	0.0463580519572	0.535886923915	-7.203	-40.385	7.874

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	( CHAIN A AND RESID 1031:1105 )	A	1031 - 1105
2	X-RAY DIFFRACTION	2	( CHAIN A AND RESID 1106:1188 )	A	1106 - 1188
3	X-RAY DIFFRACTION	3	( CHAIN A AND RESID 1189:1331 )	A	1189 - 1331
4	X-RAY DIFFRACTION	4	( CHAIN A AND RESID 1332:1358 )	A	1332 - 1358
5	X-RAY DIFFRACTION	5	( CHAIN B AND RESID 1031:1053 )	B	1031 - 1053
6	X-RAY DIFFRACTION	6	( CHAIN B AND RESID 1054:1084 )	B	1054 - 1084
7	X-RAY DIFFRACTION	7	( CHAIN B AND RESID 1085:1132 )	B	1085 - 1132
8	X-RAY DIFFRACTION	8	( CHAIN B AND RESID 1133:1163 )	B	1133 - 1163
9	X-RAY DIFFRACTION	9	( CHAIN B AND RESID 1164:1188 )	B	1164 - 1188
10	X-RAY DIFFRACTION	10	( CHAIN B AND RESID 1189:1221 )	B	1189 - 1221
11	X-RAY DIFFRACTION	11	( CHAIN B AND RESID 1222:1259 )	B	1222 - 1259
12	X-RAY DIFFRACTION	12	( CHAIN B AND RESID 1260:1303 )	B	1260 - 1303
13	X-RAY DIFFRACTION	13	( CHAIN B AND RESID 1304:1331 )	B	1304 - 1331
14	X-RAY DIFFRACTION	14	( CHAIN B AND RESID 1332:1357 )	B	1332 - 1357
15	X-RAY DIFFRACTION	15	( CHAIN C AND RESID 1029:1053 )	C	1029 - 1053
16	X-RAY DIFFRACTION	16	( CHAIN C AND RESID 1054:1133 )	C	1054 - 1133
17	X-RAY DIFFRACTION	17	( CHAIN C AND RESID 1134:1163 )	C	1134 - 1163
18	X-RAY DIFFRACTION	18	( CHAIN C AND RESID 1164:1188 )	C	1164 - 1188
19	X-RAY DIFFRACTION	19	( CHAIN C AND RESID 1189:1221 )	C	1189 - 1221
20	X-RAY DIFFRACTION	20	( CHAIN C AND RESID 1222:1303 )	C	1222 - 1303
21	X-RAY DIFFRACTION	21	( CHAIN C AND RESID 1304:1331 )	C	1304 - 1331
22	X-RAY DIFFRACTION	22	( CHAIN C AND RESID 1332:1356 )	C	1332 - 1356
23	X-RAY DIFFRACTION	23	( CHAIN D AND RESID 1036:1105 )	D	1036 - 1105
24	X-RAY DIFFRACTION	24	( CHAIN D AND RESID 1106:1145 )	D	1106 - 1145
25	X-RAY DIFFRACTION	25	( CHAIN D AND RESID 1146:1323 )	D	1146 - 1323
26	X-RAY DIFFRACTION	26	( CHAIN D AND RESID 1324:1357 )	D	1324 - 1357

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