8J7I
crystal structure of SulE mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.067, 139.675, 57.894 |
| Unit cell angles | 90.00, 101.93, 90.00 |
Refinement procedure
| Resolution | 19.890 - 1.540 |
| Rwork | 0.147 |
| R-free | 0.16430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8gol |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.099 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (v1.16) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.950 | 1.570 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rpim | 0.025 | 0.125 |
| Number of reflections | 112154 | 3353 |
| <I/σ(I)> | 17.6 | |
| Completeness [%] | 96.1 | |
| Redundancy | 4.7 | |
| CC(1/2) | 0.998 | 0.966 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG |
