3LJ7

3D-crystal structure of humanized-rat fatty acid amide hydrolase (FAAH) conjugated with Carbamate inhibitor URB597

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03317
Spacegroup name	P 21 21 21
Unit cell lengths	102.733, 105.075, 147.802
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.795 - 2.300
R-factor	0.1782
Rwork	0.176
R-free	0.21420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wj1
RMSD bond length	0.012
RMSD bond angle	1.282
Data reduction software	XDS (package)
Data scaling software	XDS (package)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.070	0.520
Number of reflections	70007
<I/σ(I)>	10.6	2.2
Completeness [%]	97.6	98.5
Redundancy	3.3	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	287	30% PEG400, 100 mM TrisHCl, 100 mM MgCl2, 100 mM NaCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 287K