6KLK
Crystal structure of the Pseudomonas aeruginosa dihydropyrimidinase complexed with 5-FU
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 | 2019-07-23 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.975 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 111.333, 111.333, 159.977 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.833 - 1.759 |
| R-factor | 0.1866 |
| Rwork | 0.185 |
| R-free | 0.21220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5e5c |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.820 |
| High resolution limit [Å] | 1.759 | 1.759 |
| Rmerge | 0.060 | 0.471 |
| Number of reflections | 114045 | 11296 |
| <I/σ(I)> | 26.8 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 18%PEG8000, 100mM HEPES pH7.5, 200mM Calcium Acetate |
