6RBT
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 ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-19 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 62.521, 76.178, 117.998 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.328 - 2.550 |
R-factor | 0.2498 |
Rwork | 0.248 |
R-free | 0.29380 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | SCALA (0.5.31) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.330 | 48.330 | 2.640 |
High resolution limit [Å] | 2.550 | 9.880 | 2.550 |
Rmerge | 0.090 | 0.050 | 0.981 |
Rmeas | 0.098 | 0.058 | 1.065 |
Rpim | 0.039 | 0.027 | 0.412 |
Total number of observations | 61381 | 1029 | 5959 |
Number of reflections | 9476 | 194 | 908 |
<I/σ(I)> | 11 | 30.9 | 1.7 |
Completeness [%] | 99.6 | 98.7 | 99.7 |
Redundancy | 6.5 | 5.3 | 6.6 |
CC(1/2) | 0.994 | 0.990 | 0.882 |
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 |