24RR
Crystal Structure of Class C Sortase from Enterococcus faecalis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-03 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.96546 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.405, 80.708, 81.227 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.530 - 1.940 |
| R-factor | 0.20337 |
| Rwork | 0.202 |
| R-free | 0.22975 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.570 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.530 | 1.970 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.095 | 0.672 |
| Rpim | 0.058 | 0.429 |
| Number of reflections | 30113 | 1485 |
| <I/σ(I)> | 6.9 | 1.2 |
| Completeness [%] | 95.1 | 95.7 |
| Redundancy | 3.4 | |
| CC(1/2) | 0.971 | 0.590 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 0.1M MES pH 6.5, 30% w/v PEG 4000 |
