3Q7D

Structure of (R)-naproxen bound to mCOX-2.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	122.735, 133.028, 181.039
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.590 - 2.400
R-factor	0.1797
Rwork	0.177
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nt1
RMSD bond length	0.008
RMSD bond angle	1.270
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall
Low resolution limit [Å]	29.590
High resolution limit [Å]	2.400
Number of reflections	55701
Completeness [%]	95.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			VAPOR DIFFUSION, HANGING DROP