2W9G
Wild-type Staphylococcus aureus DHFR in complex with NADPH and trimethoprim
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-BM |
Synchrotron site | APS |
Beamline | 17-BM |
Temperature [K] | 273 |
Detector technology | CCD |
Collection date | 2007-06-20 |
Detector | MARRESEARCH |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 79.287, 79.287, 106.254 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 68.680 - 1.950 |
R-factor | 0.214 |
Rwork | 0.211 |
R-free | 0.28700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 1.984 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.060 | 0.360 |
Number of reflections | 54341 | |
<I/σ(I)> | 33 | 5.2 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 5.7 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.4 | BUFFER: 30 MM CITRIC ACID / 40 MM BIS-TRIS PROPANE PH6.4, 13.3% PEG3350, 16.7% PEG6000 |