6RBR
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 ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-12-08 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.93300 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 62.882, 75.477, 118.777 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.312 - 2.060 |
R-factor | 0.2047 |
Rwork | 0.204 |
R-free | 0.22930 |
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] | 63.700 | 63.700 | 2.120 |
High resolution limit [Å] | 2.060 | 8.980 | 2.060 |
Rmerge | 0.076 | 0.040 | 0.736 |
Rmeas | 0.086 | 0.048 | 0.869 |
Rpim | 0.040 | 0.026 | 0.448 |
Total number of observations | 81947 | 935 | 4031 |
Number of reflections | 17664 | 252 | 1201 |
<I/σ(I)> | 12.3 | 35.6 | 1.6 |
Completeness [%] | 98.8 | 98.4 | 88.6 |
Redundancy | 4.6 | 3.7 | 3.4 |
CC(1/2) | 0.997 | 0.992 | 0.817 |
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 |