8F7L
Human NAMPT in complex with substrate NAM and small molecule activator ZN-29-S
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-12-01 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.888, 106.997, 83.603 |
| Unit cell angles | 90.00, 96.88, 90.00 |
Refinement procedure
| Resolution | 65.580 - 2.200 |
| R-factor | 0.2279 |
| Rwork | 0.226 |
| R-free | 0.26420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.977 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.16) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.580 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.113 | 0.396 |
| Rmeas | 0.132 | 0.478 |
| Rpim | 0.068 | 0.263 |
| Total number of observations | 200876 | 14322 |
| Number of reflections | 53951 | 4609 |
| <I/σ(I)> | 6.8 | 2.7 |
| Completeness [%] | 99.9 | |
| Redundancy | 3.7 | 3.1 |
| CC(1/2) | 0.989 | 0.867 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 290 | 0.1 M Tris-HCl, pH 8.5, 0.2M NaCl, 20% glycerol and 13-18% PEG 3350 |
