8QGL
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 | 2013-11-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979316 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 62.860, 74.700, 118.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.534 - 1.830 |
| R-factor | 0.1878 |
| Rwork | 0.186 |
| R-free | 0.21610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.047 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.260 | 1.870 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.108 | 0.786 |
| Rmeas | 0.117 | 0.866 |
| Rpim | 0.045 | 0.356 |
| Total number of observations | 159893 | 8481 |
| Number of reflections | 24849 | 1509 |
| <I/σ(I)> | 8.6 | 2 |
| Completeness [%] | 99.5 | |
| Redundancy | 6.4 | 5.6 |
| CC(1/2) | 0.996 | 0.760 |
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 |
