5U2M
Crystal structure of human NAMPT with A-1293201
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.979490 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.978, 106.611, 83.122 |
| Unit cell angles | 90.00, 96.64, 90.00 |
Refinement procedure
| Resolution | 27.670 - 1.890 |
| R-factor | 0.193 |
| Rwork | 0.192 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gvj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.080 |
| Data reduction software | XDS ((VERSION May 1) |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.278 | 1.895 |
| High resolution limit [Å] | 1.888 | 1.888 |
| Rmerge | 0.081 | 0.758 |
| Number of reflections | 74091 | |
| <I/σ(I)> | 12.1 | 2.1 |
| Completeness [%] | 87.6 | 97.7 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 25% PEG 3350, 0.2 M ammonium sulfate, and 0.1 M HEPES, pH 7.5 |
