8DOC

Crystal structure of RPE65 in complex with compound 16e 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	2015-03-07
Detector	ADSC HF-4M
Wavelength(s)	0.979100
Spacegroup name	P 65 2 2
Unit cell lengths	176.820, 176.820, 86.190
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.050 - 2.100
R-factor	0.1793
Rwork	0.178
R-free	0.21110
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ryx
RMSD bond length	0.004
RMSD bond angle	1.073
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.230
High resolution limit [Å]	2.100	2.100
Rmerge	0.176	2.338
Number of reflections	46592	7529
<I/σ(I)>	10.33	1.09
Completeness [%]	99.9	99.8
Redundancy	12.7
CC(1/2)	0.998	0.399

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10.5	281	30% PEG 400, 100 mM CAPS, pH 10.5, 500 mM ammonium sulfate, 10% v/v