4YBU

Crystal structure of the R111K:Y134F:T54V:R132Q:P39Q:R59Y mutant of human Cellular Retinoic Acid Binding ProteinII in complex with Retinal after 24 h incubation and 1 hour UV irradiation at 1.92 angstrom - 1st 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	58.326, 58.326, 99.936
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.081 - 1.924
R-factor	0.1996
Rwork	0.197
R-free	0.24450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g7b
RMSD bond length	0.008
RMSD bond angle	1.228
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	1.950
High resolution limit [Å]	1.920	1.920
Rmerge	0.083	0.405
Number of reflections	15647
<I/σ(I)>	34.86	3.65
Completeness [%]	99.4	85
Redundancy	10.5	7.9

Crystallization Conditions

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