9M6N
Crystal Structure of the double mutant (P94A and C222A) of Sortase E from Thermobifida fusca
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | Xenocs GeniX 3D Cu HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2023-05-31 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.541679 |
| Spacegroup name | I 4 |
| Unit cell lengths | 111.751, 111.751, 72.271 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.940 - 1.990 |
| R-factor | 0.2004 |
| Rwork | 0.199 |
| R-free | 0.22313 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.487 |
| 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] | 55.940 | 2.040 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rpim | 0.054 | 0.309 |
| Number of reflections | 27453 | 1373 |
| <I/σ(I)> | 8.9 | 2.4 |
| Completeness [%] | 96.6 | |
| Redundancy | 7.7 | 7 |
| CC(1/2) | 0.997 | 0.784 |
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 |
