5WI0
Crystal structure of human NAMPT with fragment 2: 2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-12-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.226, 106.856, 82.881 |
| Unit cell angles | 90.00, 96.83, 90.00 |
Refinement procedure
| Resolution | 20.660 - 2.050 |
| R-factor | 0.221 |
| Rwork | 0.219 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gvj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data scaling software | Aimless |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.290 | 2.062 |
| High resolution limit [Å] | 2.050 | 2.055 |
| Rmerge | 0.162 | 0.697 |
| Number of reflections | 65534 | |
| <I/σ(I)> | 6 | 2.1 |
| Completeness [%] | 99.4 | 95.9 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | PEG 10K, sodium chloride, glycerol, Tris |
