6B75
Crystal Structure of human NAMPT in complex with NVP-LOQ594
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 | 2014-02-14 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 98.049, 207.985, 98.466 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 89.000 - 2.530 |
| R-factor | 0.181 |
| Rwork | 0.177 |
| R-free | 0.24700 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6atb |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.150 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 208.000 | 2.670 |
| High resolution limit [Å] | 2.530 | 2.530 |
| Number of reflections | 67507 | |
| <I/σ(I)> | 8.6 | 3.2 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 6 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 100 mM Tris/HCl pH 8.0, 23 % (w/v) PEG 3350, 200 mM NaCl |
