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 |