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 |