3QJ9

Crystal structure of fatty acid amide hydrolase with small molecule inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	91.560, 104.720, 148.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.300
R-factor	0.1803
Rwork	0.178
R-free	0.22080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.193
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.383	49.520	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge		0.074	0.441
Total number of observations		9564	43259
Number of reflections	60454
<I/σ(I)>	9.2	7.1	1.7
Completeness [%]	95.0	90.9	93.8
Redundancy	5.2	4.9	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	289	PEG3350, NH4F, pH 5.5, vapor diffusion, hanging drop, temperature 289K