4QGV

Crystal structure of the R132K:R111L mutant of Cellular Retinoic Acid Binding ProteinII complexed with a synthetic ligand (Merocyanine) at 1.73 angstrom resolution.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.1272
Spacegroup name	P 1
Unit cell lengths	34.785, 37.340, 60.091
Unit cell angles	104.53, 106.04, 90.87

Refinement procedure

Resolution	35.997 - 1.730
R-factor	0.1989
Rwork	0.197
R-free	0.24010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g7b
RMSD bond length	0.007
RMSD bond angle	1.285
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.770
High resolution limit [Å]	1.730	1.730
Rmerge	0.045	0.423
Number of reflections	28219
<I/σ(I)>	36.9	3.4
Completeness [%]	95.2	94.6
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.1M Bis Tris Propane, 0.2 M Sodium Fluoride, 16% PEG 3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K