7SJK
Structure of PLS A-domain (residues 391-656) from Staphylococcus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-21 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.150, 66.689, 71.506 |
| Unit cell angles | 90.00, 110.31, 90.00 |
Refinement procedure
| Resolution | 67.060 - 1.208 |
| R-factor | 0.122 |
| Rwork | 0.120 |
| R-free | 0.15770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4CCI |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.001 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.170 | 1.230 |
| High resolution limit [Å] | 1.208 | 1.210 |
| Rmerge | 0.118 | 0.898 |
| Rmeas | 0.137 | |
| Rpim | 0.093 | 0.785 |
| Number of reflections | 139773 | 6855 |
| <I/σ(I)> | 5.8 | 1.8 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 3.9 | 3.6 |
| CC(1/2) | 0.989 | 0.391 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 25% PEG3350, 0.1 M Bis-Tris, pH 5.5 |
