3V7W
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 5'-azido-5'-deoxyadenosine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-12 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.934000 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 62.912, 74.026, 118.419 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.258 - 2.010 |
R-factor | 0.187 |
Rwork | 0.186 |
R-free | 0.20390 |
Structure solution method | Isomorphous replacement |
RMSD bond length | 0.006 |
RMSD bond angle | 0.840 |
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] | 62.750 | 2.120 |
High resolution limit [Å] | 2.010 | 2.010 |
Number of reflections | 18364 | |
Completeness [%] | 98.1 | 94 |
Redundancy | 5.7 | 5.6 |
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 |