5F6B

Crystal structure of the Q108K:K40L:T51V:R58Y:Y19W mutant of human Cellular Retinol Binding Protein II in complex with All-trans-Retinal at 1.3 Angstrom Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-02
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 1
Unit cell lengths	29.953, 35.721, 64.937
Unit cell angles	90.85, 88.45, 65.68

Refinement procedure

Resolution	28.760 - 1.310
R-factor	0.2031
Rwork	0.201
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4exz
RMSD bond length	0.007
RMSD bond angle	1.146
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.330
High resolution limit [Å]	1.310	1.310
Rmerge	0.036	0.410
Number of reflections	59171
<I/σ(I)>	38.98	1.9
Completeness [%]	94.6	89.2
Redundancy	3.3	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	25 %PEG 4000, 0.1 M Ammonium Acetate, 0.1 M Sodium Acetate pH = 4.5.