8VLK
Crystal structure of the yeast cytosine deaminase containing both open and closed active sites
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.27899 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.865, 40.825, 97.728 |
| Unit cell angles | 90.00, 104.79, 90.00 |
Refinement procedure
| Resolution | 52.740 - 1.760 |
| R-factor | 0.16308 |
| Rwork | 0.161 |
| R-free | 0.19400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.608 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 94.490 | 1.860 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.082 | 0.883 |
| Rmeas | 0.099 | 1.055 |
| Rpim | 0.038 | 0.410 |
| Total number of observations | 387827 | 55282 |
| Number of reflections | 58759 | 8542 |
| <I/σ(I)> | 12.2 | 2 |
| Completeness [%] | 98.8 | |
| Redundancy | 6.6 | 6.5 |
| CC(1/2) | 0.998 | 0.736 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6 | 295 | 0.2 M lithium sulfate, 0.1 M MES pH 6.0 and 20% PEG-4000, cryoprotected by the reservoir solution supplemented with 15% ethylene glycol |
