3V8N
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 8-bromo-5'-amino-5'-deoxyadenosine, reacted with a citrate molecule in N site
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 | 2008-06-30 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.93300 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 63.063, 75.966, 119.012 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.983 - 2.380 |
| R-factor | 0.2085 |
| Rwork | 0.207 |
| R-free | 0.24580 |
| Structure solution method | Isomorphous replacement |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.047 |
| 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] | 64.020 | 2.470 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Number of reflections | 11540 | |
| Completeness [%] | 97.7 | 99.6 |
| Redundancy | 3.6 | 3.8 |
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 |
