23ZR
Crystal structure of MonCI mutant N278R-S421A-Q441P-A253V
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 | 2025-06-06 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.525, 93.511, 127.191 |
| Unit cell angles | 90.00, 106.32, 90.00 |
Refinement procedure
| Resolution | 60.674 - 3.000 |
| R-factor | 0.2275 |
| Rwork | 0.225 |
| R-free | 0.27080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.590 |
| 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] | 60.674 | 3.130 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.285 | 1.001 |
| Rmeas | 0.310 | 1.080 |
| Rpim | 0.119 | 0.403 |
| Number of reflections | 37855 | 4703 |
| <I/σ(I)> | 6.6 | |
| Completeness [%] | 97.6 | |
| Redundancy | 6.7 | 7.1 |
| CC(1/2) | 0.974 | 0.633 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291.15 | 0.1M Bis-Tris, pH=6.7, 28% PEG2000MME, 4% glycerol |
