6RC4
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 MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-04 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.966000 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 62.036, 77.479, 117.847 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.924 - 2.278 |
R-factor | 0.2101 |
Rwork | 0.209 |
R-free | 0.23530 |
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] | 58.924 | 58.924 | 2.133 |
High resolution limit [Å] | 1.953 | 6.223 | 1.953 |
Rmerge | 0.044 | 0.018 | 0.507 |
Rmeas | 0.047 | 0.019 | 0.595 |
Rpim | 0.014 | 0.006 | 0.301 |
Total number of observations | 140191 | 7506 | 2492 |
Number of reflections | 14530 | 726 | 728 |
<I/σ(I)> | 28 | 90 | 2.1 |
Completeness [%] | 91.3 | 99.7 | 61.6 |
Redundancy | 9.6 | 10.3 | 3.4 |
CC(1/2) | 1.000 | 1.000 | 0.799 |
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 |