6RGB
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-09 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.933400 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 62.790, 75.620, 118.110 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.390 - 2.250 |
| R-factor | 0.2075 |
| Rwork | 0.206 |
| R-free | 0.23060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.689 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.810 | 37.810 | 2.320 |
| High resolution limit [Å] | 2.250 | 8.980 | 2.250 |
| Rmerge | 0.074 | 0.029 | 0.480 |
| Rmeas | 0.082 | 0.033 | 0.548 |
| Rpim | 0.034 | 0.014 | 0.254 |
| Total number of observations | 74351 | 1130 | 5984 |
| Number of reflections | 13690 | 245 | 1212 |
| <I/σ(I)> | 16.4 | 41.1 | 3.5 |
| Completeness [%] | 99.5 | 97.3 | 97.9 |
| Redundancy | 5.4 | 4.6 | 4.9 |
| CC(1/2) | 0.996 | 0.999 | 0.790 |
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 |
