8J7L
crystal structure of SulE mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.912, 139.101, 57.798 |
| Unit cell angles | 90.00, 101.72, 90.00 |
Refinement procedure
| Resolution | 28.300 - 1.590 |
| Rwork | 0.183 |
| R-free | 0.21070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8gol |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.088 |
| 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] | 56.580 | 1.630 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rpim | 0.115 | 0.889 |
| Number of reflections | 103326 | 7475 |
| <I/σ(I)> | 5.5 | |
| Completeness [%] | 98.3 | |
| Redundancy | 6.3 | |
| CC(1/2) | 0.973 | 0.277 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG |
