8S5T
Structure of SemD in complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-21 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.967697 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 120.222, 120.222, 65.241 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 55.280 - 3.300 |
| R-factor | 0.1946 |
| Rwork | 0.190 |
| R-free | 0.23680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.235 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.280 | 3.418 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Number of reflections | 15861 | 852 |
| <I/σ(I)> | 18.32 | 3.4 |
| Completeness [%] | 99.6 | |
| Redundancy | 20 | |
| CC(1/2) | 0.999 | 0.922 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M ammonium formate, 0.1 M MES (pH 6.2), 25% v/v PEG 400 |
