4C5N
Structure of the pyridoxal kinase from Staphylococcus aureus in complex with AMP-PCP and pyridoxal
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-18 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.190, 100.660, 168.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.260 - 1.750 |
| R-factor | 0.2067 |
| Rwork | 0.204 |
| R-free | 0.25333 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c5j |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.938 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.260 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.150 | 1.500 |
| Number of reflections | 107272 | |
| <I/σ(I)> | 12.6 | 1 |
| Completeness [%] | 99.8 | 98 |
| Redundancy | 8.8 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 50MM HEPES PH7.6, 2M NH4SO4 |
