6RC6
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 ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.939274 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 62.610, 75.430, 118.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.960 - 2.290 |
| R-factor | 0.1907 |
| Rwork | 0.189 |
| R-free | 0.22780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.614 |
| 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] | 55.340 | 55.340 | 2.370 |
| High resolution limit [Å] | 2.290 | 8.870 | 2.290 |
| Rmerge | 0.074 | 0.030 | 0.584 |
| Rmeas | 0.082 | 0.033 | 0.639 |
| Rpim | 0.034 | 0.015 | 0.254 |
| Total number of observations | 67758 | 1236 | 7216 |
| Number of reflections | 11859 | 240 | 1225 |
| <I/σ(I)> | 15.8 | 32.6 | 4 |
| Completeness [%] | 91.9 | 93.5 | 98.6 |
| Redundancy | 5.7 | 5.2 | 5.9 |
| CC(1/2) | 0.996 | 0.999 | 0.942 |
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 |
