4C5K
Structure of the pyridoxal kinase from Staphylococcus aureus in complex with ADP
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 21 21 21 |
| Unit cell lengths | 62.460, 100.360, 167.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.780 - 1.400 |
| R-factor | 0.12983 |
| Rwork | 0.128 |
| R-free | 0.16519 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c5j |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.718 |
| 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] | 48.780 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.050 | 0.980 |
| Number of reflections | 200707 | |
| <I/σ(I)> | 23.35 | 2 |
| Completeness [%] | 97.1 | 93.1 |
| Redundancy | 8.9 | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 50MM HEPES, 2M NAH4SO4 |
