6ON8

Crystal Structure of the Reduced Form of Apo 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	2017-12-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97623
Spacegroup name	P 21 21 2
Unit cell lengths	60.551, 63.782, 36.966
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.983 - 2.395
R-factor	0.1902
Rwork	0.183
R-free	0.25770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rct
RMSD bond length	0.009
RMSD bond angle	0.985
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]	31.983	2.483
High resolution limit [Å]	2.395	2.397
Rmerge	0.078	0.541
Rmeas	0.087	0.600
Number of reflections	5892	501
<I/σ(I)>	22.6	2.31
Completeness [%]	98.2	85.81
Redundancy	5.9	5.3

Crystallization Conditions

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