5KIT
Crystal Structure of Nicotinamide Phosphoribosyltransferase (Nampt) in Complex with Inhibitors 37
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 92 |
| Detector technology | CCD |
| Collection date | 2012-04-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.748, 106.589, 83.320 |
| Unit cell angles | 90.00, 96.65, 90.00 |
Refinement procedure
| Resolution | 39.944 - 1.600 |
| R-factor | 0.1387 |
| Rwork | 0.137 |
| R-free | 0.17990 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.024 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.600 |
| Number of reflections | 138334 |
| <I/σ(I)> | 2.68 |
| Completeness [%] | 94.9 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 292 | 0.2uL + 0.2uL drops containing 6mg/mL Nampt, 0.1M Sodium phosphate, 25-29% polyethylene glycol 3350, 0.2M NaCl, 1mM compound, pH 8.6 |
