3V8P
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a new di-adenosine inhibitor formed in situ
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.03900 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 62.950, 75.640, 118.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.511 - 2.290 |
| R-factor | 0.1989 |
| Rwork | 0.197 |
| R-free | 0.24580 |
| Structure solution method | Isomorphous replacement |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.934 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.760 | 2.410 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Number of reflections | 12686 | |
| Completeness [%] | 99.2 | 100 |
| Redundancy | 4.8 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291.15 | 30 mM sodium bromide, 220 mM potassium citrate, pH 4.8-5.1, glycerol 6%, 15-16% w/v polyethylene glycol 400, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K |
