3V7Y
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 5'-N-Propargylamino-5'-deoxyadenosine
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 | 2011-10-22 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.979338 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 62.812, 75.675, 118.619 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.332 - 1.970 |
| R-factor | 0.1944 |
| Rwork | 0.193 |
| R-free | 0.22920 |
| Structure solution method | Isomorphous replacement |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.925 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.340 | 2.080 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Number of reflections | 20293 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4.8 |
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 |
