6E6L

Crystal structure of the holo retinal-bound domain-swapped dimer Q108K:K40L:T51F:Y60A mutant of human cellular retinol binding protein II

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	2016-11-26
Detector	RAYONIX MX300HE
Wavelength(s)	0.97872
Spacegroup name	P 21 21 2
Unit cell lengths	63.765, 60.554, 36.573
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.909 - 2.080
R-factor	0.2029
Rwork	0.198
R-free	0.24790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rct
RMSD bond length	0.007
RMSD bond angle	0.814
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]	43.909	2.154
High resolution limit [Å]	2.080	2.080
Rmerge	0.091	1.200
Rmeas	0.094
Rpim		0.336
Number of reflections	8971	442
<I/σ(I)>	34.2	2.4
Completeness [%]	99.9	100
Redundancy	14.2
CC(1/2)		0.787

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG 4000, sodium acetate, Ammonium acetate