8QGI
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-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-19 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.967697 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 62.915, 75.306, 118.523 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.260 - 1.930 |
| R-factor | 0.1889 |
| Rwork | 0.188 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.634 |
| 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] | 63.561 | 1.968 |
| High resolution limit [Å] | 1.506 | 1.934 |
| Rmerge | 0.087 | 0.955 |
| Rmeas | 0.096 | 1.044 |
| Rpim | 0.039 | 0.411 |
| Total number of observations | 7991 | |
| Number of reflections | 39441 | 1293 |
| <I/σ(I)> | 9.6 | 1.6 |
| Completeness [%] | 98.4 | |
| Redundancy | 5.5 | 6.2 |
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 |
