3QKV

Crystal structure of fatty acid amide hydrolase with small molecule compound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	ADSC
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	90.820, 104.080, 147.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 3.100
R-factor	0.2676
Rwork	0.267
R-free	0.28910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mt5
RMSD bond length	0.005
RMSD bond angle	0.836
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]	45.153	45.153	3.270
High resolution limit [Å]	3.100	9.800	3.100
Rmerge		0.068	0.493
Total number of observations		3581	16249
Number of reflections	26148
<I/σ(I)>	5.5	8.4	1.6
Completeness [%]	100.0	99.1	100
Redundancy	4.3	3.9	4.3

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