3DHF
Crystal structure of phosphorylated mimic form of human NAMPT complexed with nicotinamide mononucleotide and 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 | 2008-04-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.08090 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.993, 106.406, 83.403 |
| Unit cell angles | 90.00, 96.93, 90.00 |
Refinement procedure
| Resolution | 25.870 - 1.800 |
| R-factor | 0.162 |
| Rwork | 0.160 |
| R-free | 0.19600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3dgr |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.454 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5.4.0069) |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
| Rmerge | 0.054 | 0.029 | 0.273 |
| Number of reflections | 97479 | ||
| <I/σ(I)> | 8.2 | ||
| Completeness [%] | 99.6 | 99.6 | 96.5 |
| Redundancy | 4.1 | 4.2 | 3.3 |
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 |
