2W9S
Staphylococcus aureus S1:DHFR in complex with 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 1 2 1 |
| Unit cell lengths | 115.242, 67.375, 115.249 |
| Unit cell angles | 90.00, 120.00, 90.00 |
Refinement procedure
| Resolution | 100.000 - 1.800 |
| R-factor | 0.2037 |
| Rwork | 0.202 |
| R-free | 0.23664 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.598 |
| 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 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.060 | 0.350 |
| Number of reflections | 122345 | |
| <I/σ(I)> | 20 | 2.2 |
| Completeness [%] | 86.3 | 41.4 |
| Redundancy | 3.6 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 2.1 M MALIC ACID PH 7.0 |
