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 |