8QG9
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a di-adenosine 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 | 2014-02-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.96863 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 62.911, 74.155, 118.345 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.970 - 1.790 |
| R-factor | 0.2117 |
| Rwork | 0.210 |
| R-free | 0.24030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.212 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.970 | 1.850 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.070 | 0.943 |
| Rmeas | 0.076 | 1.050 |
| Rpim | 0.029 | 0.445 |
| Total number of observations | 177164 | 10569 |
| Number of reflections | 25864 | 2166 |
| <I/σ(I)> | 13.2 | 1.4 |
| Completeness [%] | 97.7 | |
| Redundancy | 6.8 | 4.9 |
| CC(1/2) | 0.998 | 0.752 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 30 mM NaBr, 220 mM Kcitrate, glycerol 6%, 15-16% w/v PEG400 |
