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 |