4AZP

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

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 315
Spacegroup name	P 64 2 2
Unit cell lengths	79.710, 79.710, 83.150
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.20132
Rwork	0.199
R-free	0.23624
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b56
RMSD bond length	0.012
RMSD bond angle	1.412
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	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.070	0.480
Number of reflections	9556
<I/σ(I)>	22	5.3
Completeness [%]	99.4	99.2
Redundancy	11.4	11.8

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% PEG3350 AND 5% MPD, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K. CRYSTALS SOAKED IN THE MOTHER LIQUOR SATURATED WITH ANANDAMIDE AND CONTAINING 25% GLYCEROL FOR CRYOPROTECTION.