8IVS
crystal structure of SulE mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-01-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.040, 140.060, 58.210 |
| Unit cell angles | 90.00, 101.49, 90.00 |
Refinement procedure
| Resolution | 36.010 - 1.520 |
| Rwork | 0.157 |
| R-free | 0.17130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8gol |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.018 |
| 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] | 36.010 | 1.560 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rpim | 0.030 | 0.319 |
| Number of reflections | 121276 | 7837 |
| <I/σ(I)> | 14.1 | |
| Completeness [%] | 98.9 | |
| Redundancy | 4.7 | |
| CC(1/2) | 0.998 | 0.774 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG |
