4C5M
Structure of the pyridoxal kinase from Staphylococcus aureus in complex with AMP-PCP
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 | 62.210, 100.510, 167.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.760 - 1.450 |
R-factor | 0.12442 |
Rwork | 0.122 |
R-free | 0.17056 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4c5j |
RMSD bond length | 0.013 |
RMSD bond angle | 1.723 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.760 | 1.500 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.060 | 1.170 |
Number of reflections | 185724 | |
<I/σ(I)> | 20.38 | 1.79 |
Completeness [%] | 99.5 | 96.3 |
Redundancy | 8.8 | 8.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 50MM HEPES, 2M NH4SO4 |