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 |