6PEB
Crystal Structure of human NAMPT in complex with NVP-LTM976
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 | 2013-08-13 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 89.740, 96.160, 246.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.940 - 2.460 |
| R-factor | 0.161 |
| Rwork | 0.159 |
| R-free | 0.20900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6atb |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | BUSTER-TNT |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 246.840 | 2.590 |
| High resolution limit [Å] | 2.460 | 2.460 |
| Rmerge | 0.061 | 0.470 |
| Rmeas | 0.073 | |
| Rpim | 0.039 | 0.215 |
| Number of reflections | 78824 | 2145 |
| <I/σ(I)> | 17.9 | 3.3 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.5 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.8 | 293 | 100 mM NaPO4, pH 8.8 34 % (w/v) PEG 3350 180 mM NaCl. Equal volumes (0.5 uL) of reservoir solution and protein. Compound was soaked overnight at 1 mM concentration in crystallization solution. |
