9J0T
Crystal Structure of Sortase E mutant - C222A from Thermobifida fusca
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-08 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 0.885603 |
| Spacegroup name | I 4 |
| Unit cell lengths | 111.939, 111.939, 71.638 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.030 - 1.500 |
| R-factor | 0.14556 |
| Rwork | 0.144 |
| R-free | 0.17905 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.674 |
| 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] | 41.030 | 1.570 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.067 | 0.456 |
| Rmeas | 0.075 | 0.509 |
| Rpim | 0.034 | 0.223 |
| Number of reflections | 48207 | 2410 |
| <I/σ(I)> | 9.4 | 1.8 |
| Completeness [%] | 92.8 | 80.7 |
| Redundancy | 4.5 | 5.1 |
| CC(1/2) | 0.996 | 0.807 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 1.5M Lithium sulfate, 0.1M HEPES-NaOH, pH 7.5 |
