4YGZ

CRYSTAL STRUCTURE OF THE R111K:Y134F:T54V:R132Q:P39Y:R59Y MUTANT OF HUMAN CELLULAR RETINOIC ACID BINDING PROTEIN II WITH RETINAL AT 2.06 ANGSTROM RESOLUTION - VISIBLE LIGHT IRRADIATED CRYSTAL -3RD 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	2014-07-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 31 2 1
Unit cell lengths	58.975, 58.975, 100.443
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.526 - 2.060
R-factor	0.2042
Rwork	0.202
R-free	0.25450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g7b
RMSD bond length	0.009
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	2.100
High resolution limit [Å]	2.060	2.060
Rmerge	0.068	0.533
Number of reflections	13048
<I/σ(I)>	40.72	5.12
Completeness [%]	99.9	99.8
Redundancy	10.8	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	12% PEG3350, 0.1M Malonate pH=6.0