8T3I
Crystal structure of mutant exfoliative toxin C (ExhC) from Mammaliicoccus sciuri
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS SIRIUS BEAMLINE MANACA |
| Synchrotron site | LNLS SIRIUS |
| Beamline | MANACA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-14 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.323630 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.150, 71.398, 71.383 |
| Unit cell angles | 90.00, 94.70, 90.00 |
Refinement procedure
| Resolution | 39.553 - 1.570 |
| Rwork | 0.181 |
| R-free | 0.22290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.152 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.553 | 1.626 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmerge | 0.062 | 0.062 |
| Rpim | 0.026 | 0.563 |
| Number of reflections | 63061 | 6315 |
| <I/σ(I)> | 15.17 | 1.14 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.5 | |
| CC(1/2) | 0.999 | 0.506 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.2 M MgCl2; 0.1 M Tris-HCl pH 8.5 and 30% w/v PEG 4000 with the addition of 0.1 M Sarcosine |
