6RBV
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-10-22 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.979338 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 62.442, 76.726, 118.758 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.220 - 2.290 |
| R-factor | 0.186 |
| Rwork | 0.183 |
| R-free | 0.24030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.497 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 32.220 | 32.220 | 2.370 |
| High resolution limit [Å] | 2.290 | 8.870 | 2.290 |
| Rmerge | 0.117 | 0.098 | 0.479 |
| Rmeas | 0.133 | 0.111 | 0.541 |
| Rpim | 0.062 | 0.052 | 0.245 |
| Total number of observations | 55622 | 973 | 5539 |
| Number of reflections | 12936 | 243 | 1239 |
| <I/σ(I)> | 7 | 13.6 | 2.6 |
| Completeness [%] | 98.5 | 94 | 98.5 |
| Redundancy | 4.3 | 4 | 4.5 |
| CC(1/2) | 0.990 | 0.987 | 0.893 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 5 | 291.15 | 30 mM NaBr, 220 mM Kcitrate, glycerol 6%, 15-16% w/v PEG400 |
