3MWG
Crystal structure of Staphylococcus aureus SirA
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97882, 0.97947 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.136, 61.513, 114.649 |
| Unit cell angles | 90.00, 100.08, 90.00 |
Refinement procedure
| Resolution | 31.650 - 2.100 |
| R-factor | 0.1941 |
| Rwork | 0.192 |
| R-free | 0.23588 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.310 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE (2.13) |
| Refinement software | REFMAC (refmac_5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.066 | 0.414 |
| Number of reflections | 34267 | |
| <I/σ(I)> | 11.7 | 3.6 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 4.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 6.5 | 298 | 24% Polyethylene glycol 3350, 0.1M Bis-Tris, pH 6.5, hanging drop, temperature 298K |
