6TBE

LC3A in complex with (3R,4S,5R,6R)-5-hydroxy-6-((4-hydroxy-3-(4-hydroxy-3-isopentylbenzamido)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl carbamate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99987
Spacegroup name	I 41
Unit cell lengths	95.738, 95.738, 34.647
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.869 - 1.670
R-factor	0.187369648755
Rwork	0.186
R-free	0.21220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wal
RMSD bond length	0.011
RMSD bond angle	0.988
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.869	47.869	1.790
High resolution limit [Å]	1.670	4.710	1.670
Rmerge	0.045	0.022	0.615
Rmeas	0.047	0.024	0.661
Rpim	0.013
Number of reflections	18199	1564	6295
<I/σ(I)>	32.19	71.89	2.8
Completeness [%]	98.4	97.9	97.5
Redundancy	13.8	6.997	7.305
CC(1/2)	0.978	1.000	0.874

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M ammoniumnitrat and 20% w/v PEG 3350