6RGA
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-12-11 |
Detector | MARRESEARCH |
Wavelength(s) | 0.872600 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 63.180, 74.730, 118.730 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.975 - 2.180 |
R-factor | 0.2141 |
Rwork | 0.213 |
R-free | 0.23850 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.7.1) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.360 | 37.360 | 2.250 |
High resolution limit [Å] | 2.180 | 8.990 | 2.180 |
Rmerge | 0.137 | 0.083 | 0.853 |
Rmeas | 0.152 | 0.093 | 0.946 |
Rpim | 0.064 | 0.041 | 0.397 |
Total number of observations | 83071 | 1188 | 6663 |
Number of reflections | 14968 | 232 | 1277 |
<I/σ(I)> | 7.6 | 17.2 | 2.1 |
Completeness [%] | 99.7 | 94.1 | 100 |
Redundancy | 5.5 | 5.1 | 5.2 |
CC(1/2) | 0.992 | 0.994 | 0.782 |
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 |