6MCU

Crystal structure of the holo retinal-bound domain-swapped dimer Q108K:T51D:A28H mutant of human Cellular Retinol Binding Protein II

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	2017-07-20
Detector	RAYONIX MX300HE
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	65.874, 73.992, 349.989
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.201 - 2.572
R-factor	0.2334
Rwork	0.231
R-free	0.29630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rct
RMSD bond length	0.003
RMSD bond angle	0.540
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]	49.201	2.664
High resolution limit [Å]	2.572	2.572
Rmerge		0.690
Rmeas	0.150	0.796
Rpim		0.311
Number of reflections	50840	2456
<I/σ(I)>	12.08
Completeness [%]	91.3
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	PEG 4000, ammonium sulfate, sodium acetate