5YKD
Crystal structure of dihydropyrimidinase from Pseudomonas aeruginosa PAO1 at 2.17 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2015-12-17 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.975 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 108.912, 155.699, 235.572 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.170 |
| R-factor | 0.17875 |
| Rwork | 0.176 |
| R-free | 0.23121 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5e5c |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.650 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 117.790 | 2.260 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.122 | 0.599 |
| Number of reflections | 100197 | |
| <I/σ(I)> | 15.13 | 3.7 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.1 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 298 | 10% PEG 8000, 100 mM HEPES, 200 mM calcium acetate pH 5.9 |
