6ATB
Crystal Structure of human NAMPT in complex with NVP-LOD812
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 | 2013-02-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 98.460, 208.400, 98.860 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 104.200 - 2.530 |
| R-factor | 0.1555 |
| Rwork | 0.152 |
| R-free | 0.21470 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3dgr |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.160 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 207.990 | 2.670 |
| High resolution limit [Å] | 2.530 | 2.530 |
| Rmerge | 0.142 | 0.476 |
| Number of reflections | 77346 | |
| <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 | 294 | 18 % (v/v) glycerol 23 % (w/v) PEG 3350 200 mM NaCl 100 mM Tris/HCl pH 8.0 |
