6E5R

Crystal structure of the apo domain-swapped dimer Q108K:T51D:A28C 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	30.857, 68.182, 130.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.054 - 2.592
R-factor	0.2347
Rwork	0.229
R-free	0.28120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rcq
RMSD bond length	0.001
RMSD bond angle	0.359
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]	47.054	2.693
High resolution limit [Å]	2.592	2.600
Rmerge	0.180
Rmeas	0.240
Number of reflections	9100
<I/σ(I)>	10.63
Completeness [%]	99.9
Redundancy	7

Crystallization Conditions

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