3PFN
Crystal Structure of human NAD kinase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97942 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.095, 133.587, 162.668 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.840 - 2.700 |
| R-factor | 0.2102 |
| Rwork | 0.209 |
| R-free | 0.23560 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.160 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | BUSTER-TNT (BUSTER 2.8.0) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 5.800 | 2.700 |
| Rmerge | 0.115 | 0.064 | 0.865 |
| Number of reflections | 39854 | ||
| <I/σ(I)> | 24 | 2.9 | |
| Completeness [%] | 98.4 | 95.9 | 99.2 |
| Redundancy | 8.2 | 7.9 | 8.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 21.4% PEG3350, 0.2M magnesium nitrate, pH 5.5, vapor diffusion, sitting drop, temperature 291K |
