6BTI

Crystal structure of human cellular retinol binding protein 2 (CRBP2) in complex with N-arachidonoylethanolamine (AEA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-03-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	58.239, 67.630, 87.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.131 - 1.450
R-factor	0.158
Rwork	0.157
R-free	0.18550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qyp
RMSD bond length	0.008
RMSD bond angle	1.091
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.450	1.470
High resolution limit [Å]	1.450	1.450
Rmerge	0.061	0.717
Rpim	0.038	0.459
Number of reflections	59550	2870
<I/σ(I)>	12.3	2.2
Completeness [%]	96.7	95.5
Redundancy	6.4	6.4
CC(1/2)	0.990	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M TrisHCl, PEG 3350 22-28%.