6NOE

Crystal Structure of the All-Trans Retinal-Bound R111K:Y134F:T54V:R132Q:P39Y:R59Y:L121E:I63D Mutant of Human Cellular Retinoic Acid Binding Protein II in the Dark at 1.97 Angstrom Resolution

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	2018-03-03
Detector	RAYONIX MX300HE
Wavelength(s)	0.97856
Spacegroup name	P 31 2 1
Unit cell lengths	59.170, 59.170, 99.733
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.738 - 1.969
R-factor	0.2099
Rwork	0.205
R-free	0.25490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yfp
RMSD bond length	0.007
RMSD bond angle	0.911
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]	35.740	2.040
High resolution limit [Å]	1.969	1.969
Rmerge	0.114
Number of reflections	13837	1398
<I/σ(I)>	25	2.4
Completeness [%]	93.1	94.9
Redundancy	7.3	6

Crystallization Conditions

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