4C5J
Structure of the pyridoxal kinase from Staphylococcus aureus
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 | 2013-05-09 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.580, 102.340, 83.540 |
| Unit cell angles | 90.00, 90.98, 90.00 |
Refinement procedure
| Resolution | 45.690 - 1.450 |
| R-factor | 0.1325 |
| Rwork | 0.130 |
| R-free | 0.17811 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i5b |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.802 |
| 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] | 45.690 | 1.500 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.050 | 0.860 |
| Number of reflections | 183201 | |
| <I/σ(I)> | 15.93 | 1.87 |
| Completeness [%] | 97.1 | 93 |
| Redundancy | 4.5 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 50 MM HEPES, PH 7.6, 2M AMMONIUM SULPHATE 10MG/ML PROTEIN |
