6MLB

Crystal structure of the holo retinal-bound domain-swapped dimer Q108K:K40L:T51F 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	2016-07-05
Detector	RAYONIX MX300HE
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	36.476, 63.282, 117.782
Unit cell angles	90.00, 95.94, 90.00

Refinement procedure

Resolution	33.685 - 2.150
R-factor	0.2316
Rwork	0.228
R-free	0.30240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rct
RMSD bond length	0.002
RMSD bond angle	0.546
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.685	2.227
High resolution limit [Å]	2.150	2.150
Rmerge	0.100	0.840
Rmeas	0.112
Rpim		0.348
Number of reflections	28616	2760
<I/σ(I)>	32.2
Completeness [%]	98.0	96.6
Redundancy	7.2

Crystallization Conditions

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