3WDG
Staphylococcus aureus UDG / UGI complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.602, 86.367, 88.518 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.200 |
| R-factor | 0.17367 |
| Rwork | 0.171 |
| R-free | 0.22050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ugi 2kcd |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.566 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.820 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.070 | |
| Number of reflections | 20216 | |
| <I/σ(I)> | 27.7 | |
| Completeness [%] | 97.6 | 80.7 |
| Redundancy | 9.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.2 | 298 | 0.1M Hepes sodium pH7.2, 15% PEG 20000, EVAPORATION, temperature 298K |
