4YDB

Crystal structure of the R111K:Y134F:T54V:R132Q:P39Q:R59Y mutant of human Cellular Retinoic Acid Binding Protein II in complex with Retinal at 2.03 angstrom -UV irradiated crystal- 3rd 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	58.655, 58.655, 100.352
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.697 - 2.030
R-factor	0.2082
Rwork	0.206
R-free	0.25220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g7b
RMSD bond length	0.008
RMSD bond angle	1.147
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	2.070
High resolution limit [Å]	2.030	2.030
Rmerge	0.067	0.557
Number of reflections	13508
<I/σ(I)>	38.81	4.38
Completeness [%]	100.0	99.8
Redundancy	10.8	10.8

Crystallization Conditions

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