4WVE
Crystal structure of the Staphylococcus aureus SasG G52-E2-G53 module
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-02-23 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 |
Unit cell lengths | 39.861, 45.628, 60.359 |
Unit cell angles | 84.76, 83.22, 78.60 |
Refinement procedure
Resolution | 59.790 - 1.600 |
R-factor | 0.2093 |
Rwork | 0.207 |
R-free | 0.24900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tip |
RMSD bond length | 0.014 |
RMSD bond angle | 1.725 |
Data reduction software | XDS (0.2.17) |
Data scaling software | Aimless (0.2.17) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 59.790 | 59.790 | 1.630 |
High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
Rmerge | 0.089 | 0.078 | 0.511 |
Rpim | 0.050 | 0.041 | 0.278 |
Total number of observations | 225293 | 1417 | 11260 |
Number of reflections | 53868 | ||
<I/σ(I)> | 15.8 | 39 | 4.6 |
Completeness [%] | 98.9 | 98.8 | 97.9 |
Redundancy | 4.3 | 4.3 | 4.3 |
CC(1/2) | 0.992 | 0.990 | 0.929 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M magnesium chloride, 0.1 M HEPES, 30% PEG400, pH 7.5 |