3QK5

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	91.431, 104.701, 148.596
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.860 - 2.200
R-factor	0.1858
Rwork	0.184
R-free	0.22380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mt5
RMSD bond length	0.007
RMSD bond angle	1.193
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	85.589	85.589	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge	0.124	0.058	0.410
Total number of observations		12496	47923
Number of reflections	72512
<I/σ(I)>	13.2	8.5	1.8
Completeness [%]	99.4	97.9	99.1
Redundancy	5.1	5.1	4.6

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