4AZQ

Murine epidermal fatty acid-binding protein (FABP5) in complex with the endocannabinoid 2-arachidonoylglycerol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-14
Detector	ADSC QUANTUM 315r
Spacegroup name	P 64 2 2
Unit cell lengths	79.480, 79.480, 82.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.21831
Rwork	0.216
R-free	0.25727
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b56
RMSD bond length	0.011
RMSD bond angle	1.392
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.080	0.520
Number of reflections	10920
<I/σ(I)>	18.5	4.9
Completeness [%]	99.6	100
Redundancy	11.4	11.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	293	200 MM NACL, 50 MM NAAC PH 4.8, 25% PEG 3350 AND 5% MPD, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K. CRYSTALS SOAKED IN THE MOTHER LIQUOR SATURATED WITH 2-ARACHIDONOYLGLYCEROL AND CONTAINING 25% GLYCEROL FOR CRYOPROTECTION.