4YCE

Crystal structure of the R111K:Y134F:T54V:R132Q:P39Q:R59Y mutant of human cellular retinoic acid binding proteinii with retinal at 1.95 angstrom- visible light irradiated crystal for 1 hour - 2nd cycle

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	2014-02-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9787
Spacegroup name	P 31 2 1
Unit cell lengths	58.599, 58.599, 99.854
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.591 - 1.953
R-factor	0.1923
Rwork	0.190
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g7b
RMSD bond length	0.007
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	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.089	0.446
Number of reflections	14985
<I/σ(I)>	33.94	4.69
Completeness [%]	99.5	99.3
Redundancy	10.8	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	277	12% PEG3350, 8% Tacsimate pH 6.0