3WDF
Staphylococcus aureus UDG
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 | 2012-07-05 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.408, 79.494, 62.627 |
Unit cell angles | 90.00, 112.06, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.480 |
R-factor | 0.14872 |
Rwork | 0.146 |
R-free | 0.19232 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2jhq |
RMSD bond length | 0.019 |
RMSD bond angle | 1.643 |
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] | 58.040 | 1.530 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.061 | |
Number of reflections | 82029 | |
<I/σ(I)> | 26.5 | |
Completeness [%] | 96.6 | 94.7 |
Redundancy | 4.3 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7.5 | 298 | 0.1M Hepes sodium pH7.5, 10% 2-propanol, 18% PEG 4000 , EVAPORATION, temperature 298K |