8VLL
Crystal structure of the yeast cytosine deaminase (yCD) M100W mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2024-01-24 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.95299 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.839, 73.070, 92.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.850 - 1.670 |
| R-factor | 0.15881 |
| Rwork | 0.158 |
| R-free | 0.17907 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.653 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.410 | 1.700 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.098 | 0.492 |
| Rmeas | 0.109 | 0.583 |
| Rpim | 0.048 | 0.308 |
| Total number of observations | 168835 | 3782 |
| Number of reflections | 35226 | 1151 |
| <I/σ(I)> | 9.3 | 2 |
| Completeness [%] | 93.7 | |
| Redundancy | 4.8 | 3.3 |
| CC(1/2) | 0.994 | 0.729 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 8 | 295 | 0.2 M lithium chloride, 0.1 M Tris pH 8.0, 20% PEG-6000, cryoprotected by the reservoir solution supplemented with 15% ethylene glycol |
