6RBS
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-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-07 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 62.526, 76.541, 118.385 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.075 - 2.324 |
R-factor | 0.2046 |
Rwork | 0.203 |
R-free | 0.23780 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 64.277 | 64.277 | 2.085 |
High resolution limit [Å] | 1.822 | 6.270 | 1.822 |
Rmerge | 0.068 | 0.029 | 0.506 |
Rmeas | 0.076 | 0.032 | 0.606 |
Rpim | 0.032 | 0.014 | 0.331 |
Total number of observations | 73857 | 3437 | 2054 |
Number of reflections | 13646 | 681 | 682 |
<I/σ(I)> | 14.2 | 41 | 1.8 |
Completeness [%] | 92.4 | 95.8 | 65.6 |
Redundancy | 5.4 | 5 | 3 |
CC(1/2) | 0.999 | 0.999 | 0.816 |
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 |