6ON5

Crystal Structure of the Zn-bound Domain-Swapped Dimer Q108K:T51D:A28C:L36C:F57H Mutant of Human Cellular Retinol Binding Protein II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97623
Spacegroup name	P 21 21 21
Unit cell lengths	60.416, 61.759, 72.638
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.122 - 1.638
R-factor	0.2075
Rwork	0.204
R-free	0.25470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rct
RMSD bond length	0.007
RMSD bond angle	0.902
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]	37.122	1.697
High resolution limit [Å]	1.638	1.638
Rmerge	0.150	0.740
Rpim	0.063	0.347
Number of reflections	32802	3193
<I/σ(I)>	22.03	2.35
Completeness [%]	96.2	95.68
Redundancy	7.1	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG 3350, Bis-Tris-HCl