6RC3
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 | CCD |
Collection date | 2008-02-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979206 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 62.830, 73.910, 118.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.955 - 2.315 |
R-factor | 0.2115 |
Rwork | 0.208 |
R-free | 0.23790 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.19) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 59.235 | 62.622 | 2.430 |
High resolution limit [Å] | 2.310 | 7.300 | 2.310 |
Rmerge | 0.058 | 0.021 | 0.505 |
Rmeas | 0.072 | 0.033 | 0.639 |
Rpim | 0.037 | 0.021 | 0.291 |
Total number of observations | 48622 | 1031 | 8071 |
Number of reflections | 12181 | 404 | 1773 |
<I/σ(I)> | 10.8 | 35 | 1.7 |
Completeness [%] | 98.3 | 92.5 | 99.7 |
Redundancy | 4 | 2.6 | 4.6 |
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 |