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 |