8QGO
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 | 2021-07-13 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.965459 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 62.969, 74.436, 118.370 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.590 - 1.530 |
| R-factor | 0.1635 |
| Rwork | 0.162 |
| R-free | 0.20000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8a9v |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.910 |
| 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] | 59.185 | 1.393 |
| High resolution limit [Å] | 1.247 | 1.247 |
| Rmerge | 0.029 | 0.865 |
| Rmeas | 0.034 | 0.951 |
| Rpim | 0.016 | 0.391 |
| Total number of observations | 13615 | |
| Number of reflections | 76054 | 2330 |
| <I/σ(I)> | 19.4 | 1.8 |
| Completeness [%] | 98.7 | |
| Redundancy | 4.1 | 5.8 |
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 |
