5E5C
Crystal structure of dihydropyrimidinase from Pseudomonas aeruginosa PAO1
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 | 2015-06-14 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.975 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 112.134, 112.134, 161.050 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 97.110 - 2.100 |
| R-factor | 0.17191 |
| Rwork | 0.170 |
| R-free | 0.21546 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ftw |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.879 |
| 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] | 97.110 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.085 | 0.590 |
| Number of reflections | 68799 | |
| <I/σ(I)> | 19.21 | 2.976 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.5 | 298 | 10% PEG8000, 100mM HEPES sodium salt, 200mM Calcium Acetate |
