22AS
The costructure of MitM and trans-1-hydroxy-7-methoxy-2-dimethylaminomitosene with SAH
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-10-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 114.629, 114.629, 109.555 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 99.270 - 2.800 |
| R-factor | 0.2443 |
| Rwork | 0.239 |
| R-free | 0.29690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8zc8 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.153 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.270 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.137 | 1.410 |
| Number of reflections | 20919 | 2998 |
| <I/σ(I)> | 14.7 | 3 |
| Completeness [%] | 100.0 | |
| Redundancy | 19.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.1 M Bis-Tris propane (pH 6.5), 0.2 M sodium sulfate, 10% w/v ethylene glycol and 20% w/v PEG 4000 |
