6MQZ

Crystal Structure of the 13-cis Product of the All-trans Retinal-Bound R111K:Y134F:T54V:R132Q:P39Y:R59Y:L121E Mutant of Human Cellular Retinoic Acid Binding Protein II Irradiated with 400 nm Laser (5 minutes) at 2.07 Angstrom

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	2016-10-25
Detector	RAYONIX MX300HE
Wavelength(s)	0.97872
Spacegroup name	P 31 2 1
Unit cell lengths	58.567, 58.567, 98.974
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.139 - 2.070
R-factor	0.1983
Rwork	0.193
R-free	0.25220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yfp
RMSD bond length	0.007
RMSD bond angle	0.996
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	2.110
High resolution limit [Å]	2.070	2.070
Rmerge	0.078
Rmeas	0.130
Rpim	0.040	0.412
Number of reflections	12510	1214
<I/σ(I)>	26.2	1.9
Completeness [%]	100.0	99.92
Redundancy	10.4
CC(1/2)		0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION, RECRYSTALLIZATION	6.5	277	PEG 3350, DL-malic acid