6RC0
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
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 | 2012-07-12 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.93340 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 62.110, 78.190, 117.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.522 - 2.750 |
R-factor | 0.2275 |
Rwork | 0.226 |
R-free | 0.25210 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.658 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.7.1) |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.520 | 2.570 |
High resolution limit [Å] | 2.470 | 2.470 |
Rmerge | 0.193 | 1.178 |
Rmeas | 0.214 | 1.302 |
Rpim | 0.091 | 0.627 |
Total number of observations | 52342 | |
Number of reflections | 9737 | 1035 |
<I/σ(I)> | 7 | |
Completeness [%] | 91.4 | 99.9 |
Redundancy | 5.4 | 5.5 |
CC(1/2) | 0.994 | 0.454 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 5 | 291.15 | 30 mM NaBr, 220 mM Kcitrate, glycerol 6%, 15-16% w/v PEG400 |