PDB-5c73: ATP-driven lipid-linked oligosaccharide flippase PglK in outward-...

ID or keywords:

Entry

Database: PDB / ID: 5c73

Title

ATP-driven lipid-linked oligosaccharide flippase PglK in outward-occluded conformation

Components

Protein glycosylation K

Keywords

TRANSPORT PROTEIN / ABC transporter flippase

Function / homology

Function and homology information

ABC-type lipopolysaccharide transporter / lipopolysaccharide floppase activity / protein N-linked glycosylation via asparagine / ATPase-coupled lipid transmembrane transporter activity / protein N-linked glycosylation / ABC-type transporter activity / ATP hydrolysis activity / ATP binding / membrane / metal ion binding / plasma membrane
Similarity search - Function

Biological species

Campylobacter jejuni (Campylobacter)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 5.9 Å

Authors

Perez, C. / Locher, K.P.

Citation

Journal: Nature / Year: 2015
Title: Structure and mechanism of an active lipid-linked oligosaccharide flippase.
Authors: Perez, C. / Gerber, S. / Boilevin, J. / Bucher, M. / Darbre, T. / Aebi, M. / Reymond, J.L. / Locher, K.P.

History

Deposition	Jun 24, 2015	Deposition site: RCSB / Processing site: PDBE
Revision 1.0	Aug 19, 2015	Provider: repository / Type: Initial release
Revision 1.1	Aug 26, 2015	Group: Database references
Revision 1.2	Sep 2, 2015	Group: Database references
Revision 1.3	Jan 10, 2024	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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Download

PDBx/mmCIF format	5c73.cif.gz	966.8 KB	Display	PDBx/mmCIF format
PDB format	pdb5c73.ent.gz	767.3 KB	Display	PDB format
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Validation report

Summary document	5c73_validation.pdf.gz	427 KB	Display	wwPDB validaton report
Full document	5c73_full_validation.pdf.gz	461.4 KB	Display
Data in XML	5c73_validation.xml.gz	52.3 KB	Display
Data in CIF	5c73_validation.cif.gz	84.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/c7/5c73 ftp://data.pdbj.org/pub/pdb/validation_reports/c7/5c73	HTTPS FTP

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Related structure data

Related structure data	5c76C 5c78SC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	6msm-d 0611 6a6m-1 6hrc-1 4jtz-d 6o2p-d 6s7p-d 3b60-2 6ce1-1 6uy0-d Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

Related structure data

5c76C

5c78SC

S: Starting model for refinement

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	#123 - Mar 2010 P-glycoprotein similarity (10) #95 - Nov 2007 Multidrug Resistance Transporters similarity (10)

Deposited unit

C: Protein glycosylation K

K: Protein glycosylation K

A: Protein glycosylation K

B: Protein glycosylation K

G: Protein glycosylation K

F: Protein glycosylation K

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

1

C: Protein glycosylation K

K: Protein glycosylation K

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

2

A: Protein glycosylation K

B: Protein glycosylation K

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

3

G: Protein glycosylation K

F: Protein glycosylation K

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

Unit cell

Length a, b, c (Å)	200.030, 200.030, 693.950
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	96
Space group name H-M	P4₃2₁2

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	chain C and (resseq 1:88 or resseq 90:269 or resseq 285:564 )
2	1	chain K and (resseq 1:88 or resseq 90:269 or resseq 285:564 )
3	1	chain A and (resseq 1:88 or resseq 90:269 or resseq 285:564 )
4	1	chain B and (resseq 1:88 or resseq 90:269 or resseq 285:564 )
5	1	chain G and (resseq 1:88 or resseq 90:269 or resseq 285:564 )
6	1	chain F and (resseq 1:88 or resseq 90:269 or resseq 285:564 )

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	MET	MET	LEU	LEU	chain C and (resseq 1:88 or resseq 90:269 or resseq 285:564 )	C	A	1 - 88	1 - 88
1	2	ASN	ASN	CYS	CYS	chain C and (resseq 1:88 or resseq 90:269 or resseq 285:564 )	C	A	90 - 269	90 - 269
1	3	ASP	ASP	LYS	LYS	chain C and (resseq 1:88 or resseq 90:269 or resseq 285:564 )	C	A	285 - 564	285 - 564
2	1	MET	MET	LEU	LEU	chain K and (resseq 1:88 or resseq 90:269 or resseq 285:564 )	K	B	1 - 88	1 - 88
2	2	ASN	ASN	CYS	CYS	chain K and (resseq 1:88 or resseq 90:269 or resseq 285:564 )	K	B	90 - 269	90 - 269
2	3	ASP	ASP	LYS	LYS	chain K and (resseq 1:88 or resseq 90:269 or resseq 285:564 )	K	B	285 - 564	285 - 564
3	1	MET	MET	LEU	LEU	chain A and (resseq 1:88 or resseq 90:269 or resseq 285:564 )	A	C	1 - 88	1 - 88
3	2	ASN	ASN	CYS	CYS	chain A and (resseq 1:88 or resseq 90:269 or resseq 285:564 )	A	C	90 - 269	90 - 269
3	3	ASP	ASP	LYS	LYS	chain A and (resseq 1:88 or resseq 90:269 or resseq 285:564 )	A	C	285 - 564	285 - 564
4	1	MET	MET	LEU	LEU	chain B and (resseq 1:88 or resseq 90:269 or resseq 285:564 )	B	D	1 - 88	1 - 88
4	2	ASN	ASN	CYS	CYS	chain B and (resseq 1:88 or resseq 90:269 or resseq 285:564 )	B	D	90 - 269	90 - 269
4	3	ASP	ASP	LYS	LYS	chain B and (resseq 1:88 or resseq 90:269 or resseq 285:564 )	B	D	285 - 564	285 - 564
5	1	MET	MET	LEU	LEU	chain G and (resseq 1:88 or resseq 90:269 or resseq 285:564 )	G	E	1 - 88	1 - 88
5	2	ASN	ASN	CYS	CYS	chain G and (resseq 1:88 or resseq 90:269 or resseq 285:564 )	G	E	90 - 269	90 - 269
5	3	ASP	ASP	LYS	LYS	chain G and (resseq 1:88 or resseq 90:269 or resseq 285:564 )	G	E	285 - 564	285 - 564
6	1	MET	MET	LEU	LEU	chain F and (resseq 1:88 or resseq 90:269 or resseq 285:564 )	F	F	1 - 88	1 - 88
6	2	ASN	ASN	CYS	CYS	chain F and (resseq 1:88 or resseq 90:269 or resseq 285:564 )	F	F	90 - 269	90 - 269
6	3	ASP	ASP	LYS	LYS	chain F and (resseq 1:88 or resseq 90:269 or resseq 285:564 )	F	F	285 - 564	285 - 564

NCS oper:

ID	Code	Matrix	Vector
1	given	(-0.190467, -0.088539, 0.977693), (-0.077191, -0.99149, -0.104826), (0.978654, -0.095435, 0.182012)	140.207001, -72.441704, -122.480003
2	given	(0.048284, -0.135657, 0.989579), (0.904585, 0.426055, 0.014269), (-0.423551, 0.894469, 0.143284)	144.054993, -54.637199, -144.516006
3	given	(-0.502668, 0.863692, -0.036899), (-0.85714, -0.503496, -0.108642), (-0.112411, -0.022984, 0.993396)	-21.764299, -14.7637, -2.3119
4	given	(-0.017807, 0.07946, 0.996679), (-0.822267, 0.56595, -0.059811), (-0.568823, -0.820602, 0.05526)	143.630005, -80.313103, -149.181
5	given	(-0.477969, -0.870262, -0.119118), (0.877562, -0.478955, -0.02209), (-0.037828, -0.115091, 0.992634)	-23.8603, 11.8426, -1.21709

#1: Protein	Protein glycosylation K / ATP-driven flippase PglK Mass: 64587.676 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Campylobacter jejuni (Campylobacter) / Gene: pglK, wlaB, Cj1130c / Production host: Escherichia coli BL21(DE3) (bacteria) References: UniProt: Q0P9C4, UniProt: O86150*PLUS, EC: 3.6.3.39

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal grow	Temperature: 298 K / Method: vapor diffusion / pH: 7.5 / Details: Na/K phosphate; NaCl; Ammonium sulfate; ADP; MgCl2

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Data collection

Diffraction

Mean temperature: 298 K

Diffraction source

Source:

SYNCHROTRON / Site:

SLS

/ Beamline: X06SA / Wavelength: 1 Å

Detector

Type: PSI PILATUS 6M / Detector: PIXEL / Date: Dec 13, 2014

Radiation

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

Radiation wavelength

Wavelength: 1 Å / Relative weight: 1

Reflection

Resolution: 5.9→30 Å / Num. obs: 32005 / % possible obs: 84.56 % / Observed criterion σ(I): -3 / Redundancy: 12 % / B_iso Wilson estimate: 335.48 Å² / R_merge F obs: 0.999 / R_merge(I) obs: 0.197 / R_rim(I) all: 0.201 / Χ²: 0.992 / Net I/σ(I): 12.97 / Num. measured all: 1600808

Reflection shell

Diffraction-ID: 1 / Rejects: _

Resolution (Å)	Highest resolution (Å)	R_merge F obs	R_merge(I) obs	Mean I/σ(I) obs	Num. measured obs	Num. possible	Num. unique obs	R_rim(I) all	% possible all
5.9-6.15		0.679	0.267	1.43	5431	6475	205	1.664	29.2
5.65-5.8		0.63	2.2	1.74	16255	6279	646	2.245	10.3
5.8-5.97		0.541	2.471	1.53	29950	6118	1140	2.519	18.6
5.97-6.15		0.549	2.623	1.43	45723	5950	1736	2.674	29.2
6.15-6.35		0.555	2.364	1.63	64844	5730	2496	2.411	43.6
6.35-6.58		0.525	2.723	1.34	97909	5620	3812	2.778	67.8
6.58-6.83		0.502	2.49	1.3	122069	5317	5256	2.547	98.9
6.83-7.1		0.704	1.984	1.94	148000	5238	5187	2.019	99
7.1-7.42		0.879	1.323	3.1	140758	4937	4923	1.346	99.7
7.42-7.78		0.93	0.9	4.49	131771	4727	4707	0.916	99.6
7.78-8.2		0.977	0.508	7.56	122133	4498	4489	0.518	99.8
8.2-8.7		0.984	0.358	10.04	109557	4310	4304	0.365	99.9
8.7-9.3		0.994	0.21	15.25	95695	3958	3954	0.214	99.9
9.3-10.05		0.998	0.149	23.13	108040	3760	3756	0.151	99.9
10.05-11.01		0.998	0.111	29.69	94878	3401	3399	0.113	99.9
11.01-12.31		0.999	0.102	30.67	82755	3126	3123	0.104	99.9
12.31-14.21		0.999	0.089	32.45	64565	2727	2713	0.091	99.5
14.21-17.4		0.999	0.076	41.84	65173	2297	2277	0.077	99.1
17.4-24.61		1	0.052	49.56	46730	1795	1783	0.053	99.3
	24.61	0.999	0.047	50.22	8572	977	424	0.049	43.4

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Phasing

Phasing

Method:

molecular replacement

Phasing MR

	Highest resolution	Lowest resolution
Rotation	5.9 Å	29.94 Å
Translation	5.9 Å	29.94 Å

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Processing

Software

Name	Version	Classification
XSCALE		data scaling
PHASER	2.5.6	phasing
PHENIX		refinement
PDB_EXTRACT	3.15	data extraction
XDS		data reduction
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 5C78

5c78

Resolution: 5.9→29.938 Å / SU ML: 1.01 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 38.78 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.3171	1624	5.07 %
R_work	0.2843	30381	-
obs	0.286	32005	84.55 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso max: 843.63 Å² / B_iso mean: 368.9484 Å² / B_iso min: 112.52 Å²

Refinement step

Cycle: final / Resolution: 5.9→29.938 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	16752	0	0	0	16752
Num. residues	-	-	-	-	3384

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.005	16752
X-RAY DIFFRACTION	f_angle_d	0.861	23346
X-RAY DIFFRACTION	f_chiral_restr	0.029	3222
X-RAY DIFFRACTION	f_plane_restr	0.002	3378
X-RAY DIFFRACTION	f_dihedral_angle_d	4.745	3378

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Type	Rms dev position (Å)
1	1	C	2713	X-RAY DIFFRACTION	POSITIONAL	0.027
1	2	K	2713	X-RAY DIFFRACTION	POSITIONAL	0.027
1	3	A	2713	X-RAY DIFFRACTION	POSITIONAL	0.028
1	4	B	2713	X-RAY DIFFRACTION	POSITIONAL	0.027
1	5	G	2713	X-RAY DIFFRACTION	POSITIONAL	0.029
1	6	F	2713	X-RAY DIFFRACTION	POSITIONAL	0.027

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 12

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
5.9002-6.0724	0.5219	29	0.4501	764	793	26
6.0724-6.2667	0.4364	61	0.4293	1095	1156	37
6.2667-6.4885	0.3962	74	0.4102	1672	1746	57
6.4885-6.7455	0.4153	147	0.3875	2752	2899	93
6.7455-7.0487	0.3828	143	0.3557	2938	3081	100
7.0487-7.4149	0.3368	159	0.3171	2990	3149	100
7.4149-7.8716	0.3137	166	0.2711	2944	3110	100
7.8716-8.4666	0.2487	156	0.2212	2978	3134	100
8.4666-9.2954	0.2631	170	0.2026	3002	3172	100
9.2954-10.588	0.2204	186	0.1869	3010	3196	100
10.588-13.149	0.2574	159	0.2448	3057	3216	99
13.149-29.9386	0.435	174	0.3793	3179	3353	99

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	0.1353	0.0581	-0.6724	2.1002	0.7781	1.6329	-0.8458	1.0102	1.7658	-3.2416	-0.7758	-0.6229	-1.1907	-0.4613	-0.0627	2.4272	1.0249	-0.6395	2.5978	1.957	2.9317	35.7053	-39.0962	-120.898
2	4.2473	-3.394	3.7514	5.8166	-4.2475	3.7672	-1.3186	-0.6026	0.7429	-0.1278	0.3712	-0.0485	-0.5294	0.287	-0.2436	2.0046	1.2343	-1.1579	2.1031	1.6125	3.9379	-0.2525	-34.984	-131.0539
3	1.1346	-0.493	0.938	0.2457	-0.3529	0.4252	0.2796	0.2136	-1.3466	1.1059	-0.5674	-0.5381	0.0548	0.171	-0.4883	4.4521	-2.529	-1.0343	2.5791	-1.1471	4.4809	11.4042	-37.783	-112.0928
4	-0.9176	-0.3591	0.7767	-0.2658	-0.3837	0.3801	-0.053	-0.3638	-0.0523	0.1977	-0.9406	-1.954	0.1115	0.2988	0.0138	3.6821	1.7601	1.2098	-0.8778	0.6054	3.1717	23.5615	-43.8349	-129.3062
5	2.2556	-0.6241	0.2239	6.7601	1.0405	3.3923	-0.4	-1.282	0.0816	0.3242	0.1596	-1.1182	-1.5479	-0.483	-0.1431	2.1805	0.2676	-1.5927	1.2486	-1.3308	2.3779	0.0032	-30.9564	-167.0671
6	0.0837	-0.3876	-0.4974	1.2832	0.7223	0.9735	0.7395	-1.676	-3.1712	0.9447	0.4931	0.5453	-0.4252	-0.8188	0.3379	2.5118	1.0852	-1.4804	3.845	0.291	1.9144	18.8783	-23.9607	-105.3779
7	4.1466	2.1348	0.6082	2.1746	-0.6101	1.3474	1.4314	-0.8222	0.2046	0.4352	0.1234	-0.1157	-0.701	1.9888	-0.3038	3.7852	0.5807	-1.9066	2.6139	-0.8414	1.4774	15.4683	-23.8811	-142.8149
8	0.2963	0.4556	0.0226	0.7526	0.3741	2.0791	1.199	0.2012	-1.6222	-0.2233	0.8804	-0.6121	-2.0176	-0.385	-2.2223	4.4959	0.9852	-0.4616	4.7596	1.2347	5.5362	31.9719	-24.1778	-127.5628
9	7.1047	-1.8038	5.0152	-0.0325	-0.855	1.998	2.528	1.3912	-0.8869	2.3233	0.2087	-2.0426	2.18	0.8025	-0.5389	3.6817	1.6283	-1.7684	2.4915	0.9541	1.1397	13.3796	-17.584	-118.3484
10	0.2132	0.7401	0.3359	2.0753	0.7508	0.3671	0.8725	0.4197	-1.3431	-0.2557	1.7947	2.7262	1.3927	0.843	0.8299	3.4409	1.1996	-2.4717	2.4014	1.0751	2.8022	-20.1328	-24.4636	-149.5411
11	1.486	-0.0657	-1.2375	1.5167	0.9441	1.7063	0.7108	1.7399	0.1223	-0.9086	-0.5554	-0.2747	-1.0158	-1.1494	0.6511	1.9977	-0.1865	-1.0439	1.2078	-1.6038	2.619	-1.1768	42.4442	-103.6155
12	5.0659	-2.2903	-1.2148	4.1974	4.3475	4.8312	-0.4276	-0.1285	-0.0766	1.0661	-1.0198	1.2982	0.9912	-1.1785	0.2678	2.2661	0.556	1.3278	1.4436	0.467	1.3265	5.1089	39.9885	-140.5908
13	0.9024	-1.0528	-2.3399	0.762	2.3991	5.9958	0.9025	2.45	-0.952	-0.5845	-0.0913	-0.0407	2.3297	1.0246	1.9064	2.6133	0.0237	0.5584	6.0927	-1.0716	0.3877	-4.5356	54.2729	-126.133
14	1.8063	-1.6154	-0.0276	6.6589	4.7094	4.0919	0.5547	-0.3857	-1.7728	-0.7276	-0.1045	0.3856	-0.3231	0.9719	0.3903	5.0231	-1.7357	0.7275	5.2728	-0.8828	2.9932	-11.2431	54.7758	-106.6697
15	3.9072	-3.9407	0.3351	8.2394	-2.4335	1.3786	-0.1021	0.217	-1.508	0.962	-1.3124	0.3277	1.6252	1.8171	0.3689	2.0186	0.885	0.0318	3.3568	-0.0844	-0.0709	8.6079	10.2988	-129.291
16	7.2548	-0.7961	3.2969	6.0639	-2.6949	5.1371	1.441	-0.7338	-0.5249	-0.2487	0.6341	0.8084	0.6914	-1.1863	-0.0533	2.2914	2.2043	0.3658	4.1567	1.2377	3.5168	12.9968	3.4972	-143.7552
17	2.0981	0.2545	2.3496	6.321	0.7814	3.0603	0.0349	-0.4769	-0.8485	0.8548	-0.6876	-1.0699	-0.7839	-0.8717	-0.0868	1.6504	-0.5998	1.248	3.2424	1.4404	2.5757	34.0172	17.5017	-143.4261
18	0.2394	-0.0853	0.2213	1.0095	0.5485	0.6975	-0.2451	-0.4476	0.0058	0.077	0.2965	-0.9191	0.0617	0.9353	0.1298	2.8797	1.5199	0.5506	3.3098	-1.8398	3.0421	22.2982	1.565	-154.5727
19	0.9534	-0.6756	0.725	0.6808	-0.0114	0.7219	0.8235	2.329	0.0522	-0.8437	0.598	-0.9984	0.3255	1.9051	0.3146	0.7405	-2.5217	1.9107	2.1397	-0.3796	0.8472	5.2995	64.614	-117.2805
20	1.1782	0.3767	0.487	1.2519	0.1927	0.1715	0.6082	-0.365	0.3469	0.5033	0.3388	0.1244	-0.7204	-0.324	0.8451	4.8091	0.9337	1.1357	2.4177	-1.9673	3.1552	20.9921	31.721	-126.4928
21	0.6894	-0.0136	-0.1578	-0.0321	-0.109	2.0487	0.1322	0.3519	-1.3806	-0.454	-0.1356	0.5505	0.8579	1.7614	0.0839	1.5276	0.7694	-2.689	2.0818	1.1236	5.659	14.9782	42.7102	-107.7923
22	0.1839	0.2654	-0.3598	1.3316	-0.5603	1.655	-0.759	0.486	-0.3119	-0.9321	0.1715	0.4129	0.3312	0.3451	-0.872	3.0259	1.1116	-0.7567	5.2614	-4.1244	3.3441	9.5649	61.6739	-101.8615
23	1.543	0.6251	0.1442	0.8219	-0.9614	2.0605	-1.1401	0.6077	0.8466	0.2426	0.607	0.0312	-1.6113	0.3529	0.9191	2.6703	-0.5495	-1.1635	1.0846	0.0058	2.2105	24.2224	50.3032	-152.2885
24	1.3613	-1.6248	-2.0093	6.0279	0.524	4.9754	1.6673	-0.5852	2.309	1.8001	0.7767	0.3437	1.4535	1.2318	-1.5249	2.0648	-1.4369	-0.4872	2.1644	-0.7988	5.0632	31.2285	38.72	-161.8466
25	2.099	0.7649	-1.2247	1.3314	-1.778	2.5917	0.9063	0.3927	0.4069	0.3826	0.2179	-0.2841	-1.8264	-0.3656	2.4829	2.4696	-0.095	0.9543	4.0253	-3.0384	2.581	9.6786	25.5697	-160.8947
26	0.2661	-0.4341	-0.3624	2.2998	-0.0272	0.6281	-0.209	0.4911	0.1813	-0.6072	0.9822	-1.6034	0.3626	0.0501	0.6216	1.9609	0.7845	1.4022	4.3259	-1.4739	1.7067	30.6869	26.5052	-169.4534
27	1.542	-1.1563	0.0282	2.211	1.5028	2.5816	1.5526	-0.4712	-0.7003	0.3525	-0.5886	-1.0341	0.3414	-0.436	0.481	2.6901	-0.7051	-1.3261	0.6859	1.4731	1.7625	-48.0562	-8.4573	-108.4686
28	4.5918	-2.9388	-4.5174	1.9471	2.9694	4.4931	-0.5209	-1.7447	-0.8659	1.727	1.0455	-1.4204	1.8031	1.0292	1.4882	2.2292	-1.5181	-2.9168	2.3421	1.7851	3.284	-45.0234	-0.6522	-145.1131
29	0.6323	0.2294	-0.6475	1.6154	-2.4915	4.9665	0.7534	2.3127	0.3361	-0.5917	-0.3667	-0.0392	0.013	1.4125	0.279	2.5844	1.336	0.6437	4.5353	-1.6743	4.9241	-54.047	-16.5898	-132.0429
30	0.7654	0.0107	0.9797	0.0253	0.0425	1.2414	-0.7454	0.1401	0.897	-1.3287	1.3933	-0.5505	-0.7062	0.088	1.169	3.4175	0.4652	2.6063	2.6884	3.3568	3.5995	-53.2213	-23.2684	-112.579
31	1.2178	-0.4779	0.5799	0.3953	0.2891	1.718	-0.6793	-1.1617	0.4632	-0.2131	0.3362	-0.3091	0.0681	-0.5965	0.4862	3.2794	-1.3156	-0.9118	3.4519	0.5225	0.3086	-22.6001	16.9705	-130.687
32	2.1031	-0.628	0.065	0.5087	0.0084	1.0734	0.0848	-1.2367	-0.6114	0.9103	0.4167	-0.3534	0.8078	0.8906	-0.041	3.0351	1.607	-2.2578	3.9423	1.2061	2.7352	-17.3814	24.6322	-144.4231
33	2.0386	0.847	-1.1092	6.0396	-0.9191	0.7114	0.2098	-1.8815	0.8636	-1.6479	0.2127	0.3279	0.6109	-2.2062	-0.5686	2.0989	-1.208	-0.2283	3.5936	-0.541	3.1477	-40.0046	35.7193	-146.2755
34	4.4208	-3.4318	1.6759	3.0309	-0.7206	6.8496	0.9785	1.152	-1.9684	-0.4226	0.0946	0.0156	1.646	1.9372	0.0397	0.3757	0.0894	0.5177	1.6038	0.6249	2.3024	-19.2077	33.973	-155.2287
35	3.2847	0.2619	-1.2205	0.2783	0.3797	1.2345	-0.5581	-0.0971	1.0416	0.1107	-0.9363	0.0151	0.6415	-0.1268	-2.9899	1.5846	-2.7814	1.1392	3.2146	0.9869	1.4368	-73.8985	-24.986	-119.7714
36	0.2072	-0.8886	-0.5626	3.8016	1.0174	0.111	0.5561	0.1757	-1.2266	0.583	-0.4527	1.2421	-0.7889	-0.0041	0.8434	1.7519	0.9025	0.22	4.8498	0.2508	1.6271	-65.7049	-7.3297	-127.5677
37	0.4648	-0.0269	0.4892	2.2367	-1.2358	2.0302	0.7353	0.0838	-0.1413	-0.6609	0.031	-0.0499	0.501	-0.1983	-1.9743	0.8063	-0.043	-0.3679	1.4746	1.6864	3.5648	-47.465	16.8226	-130.6605
38	1.84	0.026	0.7553	-0.1074	-0.5914	3.5448	1.2125	1.9405	1.6634	-0.7974	-0.3201	-0.3573	-0.0615	1.3189	-1.1504	3.555	2.3375	0.4906	2.1032	0.077	3.721	-55.9404	5.4383	-113.2254
39	1.2944	-0.91	-0.3846	2.013	1.6115	1.4463	0.4527	0.4774	0.5773	-2.7137	-0.3152	-0.5137	-1.8793	-0.4672	-0.0128	2.1857	0.1525	-0.4974	0.463	-0.4076	4.7914	-70.0679	-8.9092	-109.3323
40	5.1936	0.2595	0.3395	0.5771	0.4523	0.3581	1.1154	2.205	0.2271	1.3138	-0.0182	0.6959	-0.2231	-0.5374	-0.8355	2.9139	0.5699	-0.6477	0.9079	0.4686	2.9126	-62.0014	10.9523	-158.5067
41	1.6818	-0.9671	1.2368	1.3455	-0.6286	0.8842	-0.0038	-0.4401	0.3582	0.3248	0.388	0.6862	-0.2633	-0.5522	0.966	2.0105	2.5628	-1.0648	3.1208	0.1158	1.9233	-54.5619	23.1522	-166.9018
42	1.102	-0.9241	2.1837	2.1342	-0.329	6.4474	0.6496	0.0997	-0.1684	-0.431	0.8459	0.4364	0.0893	0.9796	1.7287	2.572	1.08	1.7816	3.8196	2.4752	4.5508	-32.5069	11.2499	-163.7435
43	1.6855	0.2241	0.4975	2.7345	-0.3637	1.502	0.6359	-0.0968	1.1835	0.2209	-0.0044	0.7012	0.382	-0.8874	-0.0026	2.0606	-0.9375	1.3237	2.8144	1.019	2.1699	-42.9862	29.1168	-173.0358

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID
1	X-RAY DIFFRACTION	1	chain 'C' and (resid 1 through 193 )	C
2	X-RAY DIFFRACTION	2	chain 'C' and (resid 194 through 230 )	C
3	X-RAY DIFFRACTION	3	chain 'C' and (resid 231 through 277 )	C
4	X-RAY DIFFRACTION	4	chain 'C' and (resid 278 through 350 )	C
5	X-RAY DIFFRACTION	5	chain 'C' and (resid 351 through 564 )	C
6	X-RAY DIFFRACTION	6	chain 'K' and (resid 1 through 193 )	K
7	X-RAY DIFFRACTION	7	chain 'K' and (resid 194 through 230 )	K
8	X-RAY DIFFRACTION	8	chain 'K' and (resid 231 through 277 )	K
9	X-RAY DIFFRACTION	9	chain 'K' and (resid 278 through 350 )	K
10	X-RAY DIFFRACTION	10	chain 'K' and (resid 351 through 564 )	K
11	X-RAY DIFFRACTION	11	chain 'A' and (resid 1 through 193 )	A
12	X-RAY DIFFRACTION	12	chain 'A' and (resid 194 through 230 )	A
13	X-RAY DIFFRACTION	13	chain 'A' and (resid 231 through 277 )	A
14	X-RAY DIFFRACTION	14	chain 'A' and (resid 278 through 317 )	A
15	X-RAY DIFFRACTION	15	chain 'A' and (resid 318 through 350 )	A
16	X-RAY DIFFRACTION	16	chain 'A' and (resid 351 through 432 )	A
17	X-RAY DIFFRACTION	17	chain 'A' and (resid 433 through 528 )	A
18	X-RAY DIFFRACTION	18	chain 'A' and (resid 529 through 564 )	A
19	X-RAY DIFFRACTION	19	chain 'B' and (resid 1 through 193 )	B
20	X-RAY DIFFRACTION	20	chain 'B' and (resid 194 through 230 )	B
21	X-RAY DIFFRACTION	21	chain 'B' and (resid 231 through 277 )	B
22	X-RAY DIFFRACTION	22	chain 'B' and (resid 278 through 317 )	B
23	X-RAY DIFFRACTION	23	chain 'B' and (resid 318 through 350 )	B
24	X-RAY DIFFRACTION	24	chain 'B' and (resid 351 through 432 )	B
25	X-RAY DIFFRACTION	25	chain 'B' and (resid 433 through 528 )	B
26	X-RAY DIFFRACTION	26	chain 'B' and (resid 529 through 564 )	B
27	X-RAY DIFFRACTION	27	chain 'G' and (resid 1 through 193 )	G
28	X-RAY DIFFRACTION	28	chain 'G' and (resid 194 through 230 )	G
29	X-RAY DIFFRACTION	29	chain 'G' and (resid 231 through 277 )	G
30	X-RAY DIFFRACTION	30	chain 'G' and (resid 278 through 317 )	G
31	X-RAY DIFFRACTION	31	chain 'G' and (resid 318 through 350 )	G
32	X-RAY DIFFRACTION	32	chain 'G' and (resid 351 through 432 )	G
33	X-RAY DIFFRACTION	33	chain 'G' and (resid 433 through 528 )	G
34	X-RAY DIFFRACTION	34	chain 'G' and (resid 529 through 564 )	G
35	X-RAY DIFFRACTION	35	chain 'F' and (resid 1 through 69 )	F
36	X-RAY DIFFRACTION	36	chain 'F' and (resid 70 through 193 )	F
37	X-RAY DIFFRACTION	37	chain 'F' and (resid 194 through 230 )	F
38	X-RAY DIFFRACTION	38	chain 'F' and (resid 231 through 277 )	F
39	X-RAY DIFFRACTION	39	chain 'F' and (resid 278 through 317 )	F
40	X-RAY DIFFRACTION	40	chain 'F' and (resid 318 through 350 )	F
41	X-RAY DIFFRACTION	41	chain 'F' and (resid 351 through 432 )	F
42	X-RAY DIFFRACTION	42	chain 'F' and (resid 433 through 528 )	F
43	X-RAY DIFFRACTION	43	chain 'F' and (resid 529 through 564 )	F

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