3DKJ
Crystal structure of human NAMPT complexed with benzamide and phosphoribosyl pyrophosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.29000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.257, 106.811, 83.045 |
| Unit cell angles | 90.00, 96.72, 90.00 |
Refinement procedure
| Resolution | 19.920 - 2.000 |
| R-factor | 0.17 |
| Rwork | 0.168 |
| R-free | 0.20900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3dhd |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.498 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.080 | 1.900 |
| Rmerge | 0.065 | 0.042 | 0.251 |
| Number of reflections | 74005 | ||
| <I/σ(I)> | 6.9 | ||
| Completeness [%] | 88.6 | 100 | 40.8 |
| Redundancy | 3.8 | 4.2 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 200mM NaCl, 100mM Tris-HCl, 15% PEG 3350, 20% Glycerol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
