4YCH

Crystal Structure of R111K:Y134F:T54V:R132Q:P39Q:R59Y mutant of human Cellular Retinoic Acid Binding ProteinII with Retinal at 1.96 Angstrom - UV irradiated Crystal for 1 hour - 2nd cycle

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	2014-07-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	P 31 2 1
Unit cell lengths	58.488, 58.488, 100.402
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.223 - 1.960
R-factor	0.2072
Rwork	0.205
R-free	0.24930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g7b
RMSD bond length	0.008
RMSD bond angle	1.104
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	1.990
High resolution limit [Å]	1.960	1.960
Rmerge	0.080	0.544
Number of reflections	14868
<I/σ(I)>	39.06	4.38
Completeness [%]	100.0	100
Redundancy	10.8	11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	277	12% PEG 3350, 8% Tacsimate pH 6.0