6BTH

Crystal structure of human cellular retinol binding protein 2 (CRBP2) in complex with 2-arachidonoylglycerol (2-AG)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-11-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	58.138, 67.328, 87.319
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.390 - 1.350
R-factor	0.1279
Rwork	0.126
R-free	0.16400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qyp
RMSD bond length	0.008
RMSD bond angle	0.944
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.390	1.420
High resolution limit [Å]	1.350	1.350
Rmerge	0.050	0.710
Rpim	0.032	0.450
Number of reflections	71655	10211
<I/σ(I)>	11.7	1.8
Completeness [%]	94.6	93.3
Redundancy	3.3
CC(1/2)		0.660

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1 M Tris HCl, PEG 3350 22-28%