6E5S

Crystal structure of holo retinal-bound domain-swapped dimer Q108K:T51D 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	2015-08-17
Detector	RAYONIX MX-225
Wavelength(s)	1.0782
Spacegroup name	P 21 21 21
Unit cell lengths	66.199, 73.792, 353.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.459 - 2.061
R-factor	0.2234
Rwork	0.222
R-free	0.27350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rcq
RMSD bond length	0.009
RMSD bond angle	1.139
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.460	2.130
High resolution limit [Å]	2.061	2.061
Rmeas	0.083	0.939
Number of reflections	108095
<I/σ(I)>	22
Completeness [%]	91.9
Redundancy	5

Crystallization Conditions

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