8QGE
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 MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-01-31 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.96546 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 63.015, 75.290, 118.042 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.020 - 2.280 |
| R-factor | 0.1746 |
| Rwork | 0.172 |
| R-free | 0.21830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.841 |
| 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] | 59.021 | 2.324 |
| High resolution limit [Å] | 1.485 | 2.284 |
| Rmerge | 0.062 | 1.037 |
| Rmeas | 0.071 | |
| Rpim | 0.033 | 0.456 |
| Number of reflections | 23585 | 1151 |
| <I/σ(I)> | 13.3 | |
| Completeness [%] | 98.8 | |
| Redundancy | 4.6 | 6.1 |
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 |
