7ZZG
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 ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-11 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.873128 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 63.383, 75.341, 119.008 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 63.660 - 2.300 |
R-factor | 0.189 |
Rwork | 0.187 |
R-free | 0.22850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6rg9 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX (1.19.1_4122) |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 63.660 | 63.657 | 1.893 |
High resolution limit [Å] | 1.683 | 5.666 | 1.683 |
Rmerge | 0.077 | 0.031 | 0.845 |
Rmeas | 0.090 | 0.036 | 0.942 |
Rpim | 0.045 | 0.018 | 0.411 |
Total number of observations | 3045 | 4410 | |
Number of reflections | 128030 | 862 | 862 |
<I/σ(I)> | 10.7 | 28.3 | 1.9 |
Completeness [%] | 90.1 | 90.2 | 75.1 |
Redundancy | 3.8 | 3.5 | 5.1 |
CC(1/2) | 0.997 | 0.999 | 0.721 |
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 |