5HZZ
Crystal structure of DR2231_E47A mutant in complex with dUMP and manganese
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.939 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 150.452, 77.893, 52.597 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.590 - 1.801 |
| R-factor | 0.1655 |
| Rwork | 0.163 |
| R-free | 0.20720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdbid 2YFC |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.792 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 43.590 | 43.590 | 1.900 |
| High resolution limit [Å] | 1.801 | 5.700 | 1.800 |
| Rmerge | 0.020 | 0.271 | |
| Rmeas | 0.054 | 0.024 | 0.316 |
| Rpim | 0.028 | 0.013 | 0.160 |
| Total number of observations | 213560 | 6711 | 30604 |
| Number of reflections | 57527 | ||
| <I/σ(I)> | 18.8 | 36.7 | 4.9 |
| Completeness [%] | 99.1 | 96.9 | 98 |
| Redundancy | 3.7 | 3.4 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.5 | 293 | Lithium Acetate, PEG3350 |
