4YBP

Crystal structure of the R111K:Y134F:T54V:R132Q:P39Q:R59Y mutant of human cellular retinoic acid binding proteinii with retinal after 24 hour incubation at 1.83 angstrom resolution - thermodynamic product - 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)	0.97872
Spacegroup name	P 31 2 1
Unit cell lengths	58.552, 58.552, 99.392
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.493 - 1.831
R-factor	0.1882
Rwork	0.186
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g7b
RMSD bond length	0.007
RMSD bond angle	1.211
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	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.860
High resolution limit [Å]	1.830	4.970	1.830
Rmerge	0.071	0.027	0.523
Total number of observations	189007
Number of reflections	17982
<I/σ(I)>	8.1		3.8
Completeness [%]	100.0	99.6	100
Redundancy	10.5	9.5	10.6

Crystallization Conditions

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