6PBO
Staphylococcus aureus Dihydrofolate reductase in complex with NADPH and UCP1232
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 78.940, 78.940, 108.270 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.470 - 1.649 |
| R-factor | 0.2612 |
| Rwork | 0.258 |
| R-free | 0.29660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f0q |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.776 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.470 | 1.708 |
| High resolution limit [Å] | 1.649 | 1.649 |
| Rmerge | 0.115 | 0.658 |
| Number of reflections | 23971 | 2394 |
| <I/σ(I)> | 10.9 | |
| Completeness [%] | 97.1 | 99.21 |
| Redundancy | 11.2 | 10.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 278 | 0.1 MES, pH 6.0, 0.1M sodium acetate, 15% PEG 10K and 20% gamma-butyrolactone |
