6RG7
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-12-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979288 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 62.948, 75.713, 118.148 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.939 - 2.080 |
R-factor | 0.2063 |
Rwork | 0.205 |
R-free | 0.22790 |
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] | 34.940 | 34.940 | 2.140 |
High resolution limit [Å] | 2.080 | 9.070 | 2.080 |
Rmerge | 0.065 | 0.032 | 0.442 |
Rmeas | 0.071 | 0.035 | 0.503 |
Rpim | 0.027 | 0.014 | 0.233 |
Total number of observations | 114540 | 1366 | 5229 |
Number of reflections | 17163 | 223 | 1213 |
<I/σ(I)> | 15.2 | 43 | 2.2 |
Completeness [%] | 99.0 | 90.9 | 91.3 |
Redundancy | 6.7 | 6.1 | 4.3 |
CC(1/2) | 0.996 | 0.999 | 0.945 |
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 |