6RGE
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with an inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-24 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.967700 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 63.080, 75.220, 118.280 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.140 - 1.801 |
R-factor | 0.2016 |
Rwork | 0.201 |
R-free | 0.22280 |
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] | 59.140 | 59.140 | 1.830 |
High resolution limit [Å] | 1.799 | 4.883 | 1.799 |
Rmerge | 0.036 | 0.022 | 0.472 |
Rmeas | 0.042 | 0.025 | 0.546 |
Rpim | 0.020 | 0.012 | 0.267 |
Total number of observations | 101054 | 5495 | 4918 |
Number of reflections | 25981 | 1363 | 1254 |
<I/σ(I)> | 16.2 | 45.4 | 2.1 |
Completeness [%] | 98.0 | 94.7 | 95.7 |
Redundancy | 3.9 | 4 | 3.9 |
CC(1/2) | 0.999 | 0.999 | 0.902 |
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 |