3V80
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 5'-O-Propargylamino-5'-deoxyadenosine
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 | 2007-12-08 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.93300 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 62.961, 75.172, 118.531 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.586 - 2.030 |
R-factor | 0.1852 |
Rwork | 0.184 |
R-free | 0.22560 |
Structure solution method | Isomorphous replacement |
RMSD bond length | 0.008 |
RMSD bond angle | 1.098 |
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] | 63.500 | 2.140 |
High resolution limit [Å] | 2.030 | 2.030 |
Number of reflections | 17958 | |
Completeness [%] | 98.5 | 91.2 |
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 |