3DGR
Crystal structure of human NAMPT complexed with ADP analogue
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 | 2008-01-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.08090 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.290, 107.229, 82.661 |
| Unit cell angles | 90.00, 96.41, 90.00 |
Refinement procedure
| Resolution | 19.920 - 2.100 |
| R-factor | 0.182 |
| Rwork | 0.180 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gvj |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.487 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 2.170 |
| High resolution limit [Å] | 2.100 | 4.510 | 2.100 |
| Rmerge | 0.074 | 0.062 | 0.247 |
| Number of reflections | 58632 | ||
| <I/σ(I)> | 8.3 | ||
| Completeness [%] | 94.5 | 100 | 63.6 |
| Redundancy | 3.6 | 3.7 | 2.5 |
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 |
