4C5L
Structure of the pyridoxal kinase from Staphylococcus aureus in complex with pyridoxal
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-18 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.440, 102.780, 83.520 |
| Unit cell angles | 90.00, 90.44, 90.00 |
Refinement procedure
| Resolution | 43.810 - 1.850 |
| R-factor | 0.23614 |
| Rwork | 0.234 |
| R-free | 0.27485 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c5j |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.423 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.810 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.150 | 1.390 |
| Number of reflections | 90725 | |
| <I/σ(I)> | 11.65 | 1.1 |
| Completeness [%] | 99.4 | 97 |
| Redundancy | 4.5 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 50MM HEPES PH 7.6, 2M NH4SO4 |
