8A9V
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-04 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.966000 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 63.051, 75.085, 118.880 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.478 - 1.984 |
R-factor | 0.2024 |
Rwork | 0.201 |
R-free | 0.23250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6rg9 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.478 | 37.478 | 2.018 |
High resolution limit [Å] | 1.980 | 5.380 | 1.984 |
Rmerge | 0.034 | 0.018 | 0.263 |
Rmeas | 0.039 | 0.020 | 0.302 |
Rpim | 0.018 | 0.009 | 0.146 |
Number of reflections | 18931 | 1076 | 957 |
<I/σ(I)> | 22.7 | ||
Completeness [%] | 92.3 | 99 | 98.6 |
Redundancy | 4.1 | 4.3 | 3.9 |
CC(1/2) | 0.999 | 1.000 | 0.977 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 30 mM NaBr, 220 mM Kcitrate, glycerol 6%, 15-16% w/v PEG400 |