5EJI
Crystal structure of NAD kinase W78F mutant from Listeria monocytogenes in complex with NADP/Mn++/PPi
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-09-16 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 63.466, 74.389, 119.012 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.080 - 2.292 |
| R-factor | 0.1789 |
| Rwork | 0.177 |
| R-free | 0.23690 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.071 |
| Data scaling software | SCALA (3.3.21) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 63.069 | 63.069 | 2.410 |
| High resolution limit [Å] | 1.829 | 7.240 | 2.290 |
| Rmerge | 0.029 | 0.561 | |
| Rmeas | 0.079 | ||
| Rpim | 0.039 | 0.020 | 0.363 |
| Total number of observations | 53269 | 1617 | 7772 |
| Number of reflections | 13007 | ||
| <I/σ(I)> | 12.5 | 47.2 | 1.9 |
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 4.1 | 3.5 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 294 | 50 mM Sodium Bromide, 150 mM tri-sodium citrate dihydrate, pH 5.1-5.4, 14-16% w/v polyethylene glycol 400 |
