21NO
Olep mutant S240A in holo structure
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 | 2023-10-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979230 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 184.003, 60.362, 97.329 |
| Unit cell angles | 90.00, 117.08, 90.00 |
Refinement procedure
| Resolution | 44.320 - 2.850 |
| R-factor | 0.2385 |
| Rwork | 0.236 |
| R-free | 0.29000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.682 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.320 | 3.000 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.166 | 0.736 |
| Rmeas | 0.205 | 0.909 |
| Rpim | 0.119 | 0.527 |
| Number of reflections | 22491 | 3248 |
| <I/σ(I)> | 8.2 | 2.2 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.3 | 5.4 |
| CC(1/2) | 0.993 | 0.866 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 300 | 3.0 M Sodium chloride, 0.1 M BIS-Tris, pH 5.5 |
