1RAK
Bacterial cytosine deaminase D314S mutant bound to 5-fluoro-4-(S)-hydroxyl-3,4-dihydropyrimidine.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-06-24 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 109.481, 109.481, 241.088 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.890 - 1.320 |
| R-factor | 0.172 |
| Rwork | 0.172 |
| R-free | 0.17900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1k70 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.360 |
| High resolution limit [Å] | 1.320 | 1.320 |
| Rmerge | 0.076 | 0.330 |
| Number of reflections | 126518 | |
| <I/σ(I)> | 18.8 | 3.5 |
| Completeness [%] | 97.6 | 95.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | PEG 8000, magnesium chloride, hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
