7L0E

Crystal structure of bovine RPE65 in complex with gem-difluoro emixustat and palmitate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979180
Spacegroup name	P 65
Unit cell lengths	175.425, 175.425, 86.668
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.870 - 1.900
R-factor	0.1782
Rwork	0.177
R-free	0.20080
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4rsc
RMSD bond length	0.003
RMSD bond angle	1.214
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.020
High resolution limit [Å]	1.900	1.900
Rmerge	0.113	2.482
Number of reflections	118471	19003
<I/σ(I)>	13.1	0.96
Completeness [%]	99.7
Redundancy	10.4
CC(1/2)	0.999	0.430

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		281	30% PEG200, 100 mM Tris pH 8.5, 200 mM ammonium phosphate