9IOK
Crystal Structure of Sortase E from Thermobifida fusca
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 PILATUS3 6M |
| Wavelength(s) | 0.96546 |
| Spacegroup name | I 4 |
| Unit cell lengths | 111.111, 111.111, 70.023 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.560 - 1.800 |
| R-factor | 0.17925 |
| Rwork | 0.178 |
| R-free | 0.19573 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.718 |
| 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] | 55.560 | 1.840 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.050 | 0.440 |
| Rmeas | 0.050 | 0.490 |
| Rpim | 0.020 | 0.220 |
| Number of reflections | 29274 | 1466 |
| <I/σ(I)> | 16.2 | 3.1 |
| Completeness [%] | 91.9 | 99.8 |
| Redundancy | 4.6 | |
| CC(1/2) | 0.990 | 0.900 |
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 |
