6RC5
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 ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-10 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.972422 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 62.594, 76.043, 118.562 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.327 - 2.038 |
R-factor | 0.2035 |
Rwork | 0.201 |
R-free | 0.24570 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.327 | 48.327 | 1.840 |
High resolution limit [Å] | 1.638 | 5.477 | 1.638 |
Rmerge | 0.038 | 0.021 | 0.790 |
Rmeas | 0.042 | 0.023 | 0.913 |
Rpim | 0.018 | 0.010 | 0.446 |
Total number of observations | 106229 | 5043 | 3913 |
Number of reflections | 20168 | 1007 | 1009 |
<I/σ(I)> | 18.3 | 53.8 | 1.6 |
Completeness [%] | 94.0 | 97.6 | 73.9 |
Redundancy | 5.3 | 5 | 3.9 |
CC(1/2) | 0.999 | 0.999 | 0.689 |
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 |