9OA5

Crystal structure of bovine RPE65 in complex with an emixustat azolog

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-30
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.979460
Spacegroup name	P 65
Unit cell lengths	175.720, 175.720, 86.590
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.911 - 1.750
Rwork	0.148
R-free	0.18120
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.004
RMSD bond angle	0.934
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.850
High resolution limit [Å]	1.750	1.750
Rmerge	0.011	3.478
Number of reflections	153073	23417
<I/σ(I)>	14.75	0.56
Completeness [%]	100.0
Redundancy	13.1
CC(1/2)	0.999	0.218

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	281	100 mM Tris-HCl, pH 8.5, 30% v/v PEG 200, 200 mM (NH4)2HPO4