4DO3

Structure of FAAH with a non-steroidal anti-inflammatory drug

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0080
Spacegroup name	P 21 21 21
Unit cell lengths	103.470, 104.370, 147.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.500 - 2.250
R-factor	0.16616
Rwork	0.164
R-free	0.19872
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lj7
RMSD bond length	0.026
RMSD bond angle	2.034
Data reduction software	MOSFLM (PACKAGE)
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.500	2.370
High resolution limit [Å]	2.250	2.250
Rmerge	0.111	0.578
Number of reflections	76403
<I/σ(I)>	15.9	4.1
Completeness [%]	99.9	98.9
Redundancy	11.6	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	30% PEG400, 100 MM TRIS-HCL, PH 7.5, 100 MM MGCL2, 100 MM NACL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 287K, temperature 290K