6NNX

Crystal Structure of the All-Trans Retinal-Bound R111K:Y134F:T54V:R132Q:P39Y:R59Y:L121M Mutant of Human Cellular Retinoic Acid Binding Protein II in the Dark at 1.87 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	58.842, 58.842, 99.535
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.360 - 1.870
R-factor	0.2107
Rwork	0.208
R-free	0.24040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yfp
RMSD bond length	0.008
RMSD bond angle	0.969
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.360	1.937
High resolution limit [Å]	1.870	1.870
Rmerge	0.090	0.660
Number of reflections	16795	1647
<I/σ(I)>	20.9	2.4
Completeness [%]	98.3	98.86
Redundancy	7.4	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG 3350, Sodium Malonate