24CI
Crystal structure of MonCI mutant Q441W
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-11-26 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.235, 52.856, 146.576 |
| Unit cell angles | 90.00, 92.50, 90.00 |
Refinement procedure
| Resolution | 67.171 - 2.751 |
| R-factor | 0.2201 |
| Rwork | 0.219 |
| R-free | 0.24040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.882 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.16_3549: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.220 | 2.900 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.211 | 1.360 |
| Rmeas | 0.240 | 1.537 |
| Rpim | 0.112 | 0.707 |
| Number of reflections | 25468 | 3912 |
| <I/σ(I)> | 4.9 | 1.6 |
| Completeness [%] | 93.5 | 100 |
| Redundancy | 4.4 | 4.5 |
| CC(1/2) | 0.974 | 0.516 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291.15 | 0.1 M Bis Tris, pH7.2, 28% PEG2000MME |
