3TIQ
Crystal structure of Staphylococcus aureus SasG G51-E-G52 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 | CCD |
Collection date | 2010-10-23 |
Detector | ADSC Q315 |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.486, 84.771, 71.689 |
Unit cell angles | 90.00, 100.39, 90.00 |
Refinement procedure
Resolution | 41.297 - 1.874 |
R-factor | 0.2083 |
Rwork | 0.205 |
R-free | 0.26620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tip |
RMSD bond length | 0.014 |
RMSD bond angle | 1.434 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.990 |
High resolution limit [Å] | 1.870 | 5.580 | 1.870 |
Rmerge | 0.053 | 0.028 | 0.367 |
Number of reflections | 43216 | 1689 | 6474 |
<I/σ(I)> | 14.9 | 36.62 | 3.02 |
Completeness [%] | 98.1 | 97.6 | 90.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.2M magnesium chloride, 0.1M Bis-Tris, 25% PEG3350, pH 5.5, vapor diffusion sitting drop, temperature 293K |