8VLJ
Crystal structure of the cacodylate-bound yeast cytosine deaminase (closed form)
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 PILATUS3 S 6M |
| Wavelength(s) | 1.04339 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.108, 55.073, 66.867 |
| Unit cell angles | 90.00, 90.50, 90.00 |
Refinement procedure
| Resolution | 42.550 - 1.390 |
| R-factor | 0.14312 |
| Rwork | 0.142 |
| R-free | 0.16688 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.867 |
| 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] | 66.860 | 1.470 |
| High resolution limit [Å] | 1.390 | 1.390 |
| Rmerge | 0.123 | 0.723 |
| Rmeas | 0.164 | 0.935 |
| Rpim | 0.073 | 0.465 |
| Total number of observations | 248657 | 24434 |
| Number of reflections | 54840 | 6692 |
| <I/σ(I)> | 7.9 | 2.4 |
| Completeness [%] | 96.0 | |
| Redundancy | 4.5 | 3.7 |
| CC(1/2) | 0.992 | 0.534 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6 | 295 | 0.1 M sodium cacodylate pH 6.0, 15% PEG-4000, cryoprotected by the reservoir solution supplemented with 15% ethylene glycol |
