3V8R
Crystal structure of NAD kinase 1 H223E mutant from Listeria monocytogenes in complex with 5'-amino-8-bromo-5'-deoxyadenosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Detector technology | CCD |
| Collection date | 2009-07-10 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9334 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 62.718, 77.135, 118.358 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.419 - 2.390 |
| R-factor | 0.1981 |
| Rwork | 0.195 |
| R-free | 0.26430 |
| Structure solution method | Isomorphous replacement |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.777 |
| 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] | 59.180 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 11612 | |
| Completeness [%] | 96.5 | 99.9 |
| Redundancy | 4 | 4.1 |
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 |
