4YKO

Crystal structure of the R111K:Y134F:T54V:R132Q:P39Q:R59Y:A32Y:F3Q mutant of human Cellular Retinoic Acid Binding Protein II with Retinal at 1.58 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	2013-10-24
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0781
Spacegroup name	P 1
Unit cell lengths	36.737, 39.210, 58.402
Unit cell angles	86.78, 79.88, 70.83

Refinement procedure

Resolution	34.214 - 1.570
R-factor	0.1973
Rwork	0.196
R-free	0.22360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g7b
RMSD bond length	0.006
RMSD bond angle	1.106
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.600
High resolution limit [Å]	1.570	1.570
Rmerge	0.069	0.288
Number of reflections	42116
<I/σ(I)>	31	2.55
Completeness [%]	93.3	70.2
Redundancy	3.4	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	20% PEG3350, 0.1M Malonate pH=6.0