8QGK
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 ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-11 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.87313 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 63.424, 74.607, 118.858 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.320 - 2.290 |
| R-factor | 0.1903 |
| Rwork | 0.188 |
| R-free | 0.23790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.692 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.429 | 1.946 |
| High resolution limit [Å] | 1.748 | 1.748 |
| Rmerge | 0.070 | 0.870 |
| Rmeas | 0.081 | 0.961 |
| Rpim | 0.039 | 0.403 |
| Total number of observations | 4225 | |
| Number of reflections | 21210 | 760 |
| <I/σ(I)> | 11.5 | 1.7 |
| Completeness [%] | 92.4 | |
| Redundancy | 3.9 | 5.6 |
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 |
