3TIP
Crystal structure of Staphylococcus aureus SasG E-G52 module
Experimental procedure
| Experimental method | MAD |
| 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 QUANTUM 315 |
| Wavelength(s) | 0.9794, 0.9763, 0.9797 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.813, 34.721, 55.821 |
| Unit cell angles | 90.00, 99.54, 90.00 |
Refinement procedure
| Resolution | 29.368 - 1.701 |
| R-factor | 0.1999 |
| Rwork | 0.197 |
| R-free | 0.23950 |
| Structure solution method | MAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.556 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | MADSYS |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 55.050 | 34.721 | 1.790 |
| High resolution limit [Å] | 1.701 | 5.380 | 1.701 |
| Rmerge | 0.022 | 0.679 | |
| Total number of observations | 2045 | 8900 | |
| Number of reflections | 15482 | ||
| <I/σ(I)> | 14.4 | 28.7 | 1.1 |
| Completeness [%] | 99.7 | 98.6 | 98.5 |
| Redundancy | 4.1 | 3.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | 0.2M ammonium chloride, 20% PEG3350, pH 7.4, vapor diffusion sitting drop, temperature 293K |
