5EJH
Crystal structure of NAD kinase V98S mutant from Listeria monocytogenes
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 | 2006-09-16 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.933 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 62.759, 75.880, 118.207 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.309 - 2.000 |
R-factor | 0.178 |
Rwork | 0.177 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2i2a |
RMSD bond length | 0.007 |
RMSD bond angle | 0.986 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.21) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 63.856 | 37.428 | 2.110 |
High resolution limit [Å] | 1.844 | 6.320 | 2.000 |
Rmerge | 0.038 | 0.490 | |
Rmeas | 0.091 | ||
Rpim | 0.052 | 0.029 | 0.347 |
Total number of observations | 48946 | 1540 | 7078 |
Number of reflections | 18435 | ||
<I/σ(I)> | 10.8 | 41.7 | 2 |
Completeness [%] | 95.4 | 91.9 | 95.8 |
Redundancy | 2.7 | 2.5 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 294 | 50 mM Sodium Bromide, 150 mM tri-sodium citrate dihydrate, pH 5.1-5.4, 14-16% w/v polyethylene glycol 400 |