6E7M

Crystal structure of the holo retinal-bound domain-swapped dimer Q108K:T51D:A28C mutant of human Cellular Retinol Binding Protein II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-20
Detector	RAYONIX MX300HE
Wavelength(s)	0.9782
Spacegroup name	P 21 21 21
Unit cell lengths	67.739, 72.067, 112.252
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.358 - 2.700
R-factor	0.2364
Rwork	0.230
R-free	0.29610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rct
RMSD bond length	0.002
RMSD bond angle	0.490
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.360	2.800
High resolution limit [Å]	2.700	2.700
Rmeas	0.197
Rpim		0.775
Number of reflections	15836
<I/σ(I)>	11.5
Completeness [%]	100.0
Redundancy	7.2
CC(1/2)		0.389

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG 4000, ammonium acetate, sodium acetate