6RBX
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) | 0.93300 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 63.340, 75.710, 119.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.725 - 2.470 |
R-factor | 0.2182 |
Rwork | 0.214 |
R-free | 0.25890 |
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] | 59.761 | 63.945 | 2.590 |
High resolution limit [Å] | 2.460 | 7.780 | 2.460 |
Rmerge | 0.082 | 0.035 | 0.502 |
Rmeas | 0.101 | 0.047 | 0.672 |
Rpim | 0.055 | 0.032 | 0.317 |
Total number of observations | 36785 | 836 | 6539 |
Number of reflections | 10620 | 371 | 1532 |
<I/σ(I)> | 8.4 | 29.2 | 1.2 |
Completeness [%] | 99.0 | 97.6 | 99.7 |
Redundancy | 3.5 | 2.3 | 4.3 |
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 |