6MOQ

Crystal Structure of the All-trans Retinal-Bound R111K:Y134F:T54V:R132Q:P39Y:R59Y:L121W Mutant of Human Cellular Retinoic Acid Binding Protein II in the Dark at 2.2 Angstrom Resolution

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	2016-10-18
Detector	RAYONIX MX300HE
Wavelength(s)	0.97872
Spacegroup name	P 31 2 1
Unit cell lengths	58.117, 58.117, 99.629
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.405 - 2.198
R-factor	0.2342
Rwork	0.229
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yfp
RMSD bond length	0.008
RMSD bond angle	1.034
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3260))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.198	2.240
Rmerge	0.077	0.578
Rpim	0.056	0.417
Number of reflections	10325	1017
<I/σ(I)>	22.8	1.6
Completeness [%]	99.3	98.25
Redundancy	4.3	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	PEG 3350, sodium Malonate