5WI1
Crystal structure of human NAMPT with fragment 5: (3E)-3-[(phenylamino)methylidene]oxan-2-one
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-09-01 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.815, 106.759, 83.359 |
| Unit cell angles | 90.00, 96.55, 90.00 |
Refinement procedure
| Resolution | 22.980 - 1.990 |
| R-factor | 0.191 |
| Rwork | 0.189 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gvj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data scaling software | Aimless |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.697 | 1.996 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.228 | 0.831 |
| Number of reflections | 63067 | |
| <I/σ(I)> | 7.7 | 2.1 |
| Completeness [%] | 87.0 | 97.2 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | PEG 10K, sodium chloride, glycerol, Tris |
