8J7J
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 | 51.154, 139.554, 57.949 |
| Unit cell angles | 90.00, 101.68, 90.00 |
Refinement procedure
| Resolution | 19.900 - 1.540 |
| Rwork | 0.149 |
| R-free | 0.16790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8gol |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.041 |
| 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] | 19.940 | 1.570 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rpim | 0.024 | 0.393 |
| Number of reflections | 113305 | 3502 |
| <I/σ(I)> | 16.9 | |
| Completeness [%] | 96.8 | |
| Redundancy | 4.6 | 2.2 |
| CC(1/2) | 0.999 | 0.791 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG |
