4Q6A
Staphylococcus aureus V31L, F98Y Mutant Dihydrofolate Reductase Complexed with NADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-09-20 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 79.331, 79.331, 107.530 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.351 - 2.099 |
| R-factor | 0.1668 |
| Rwork | 0.165 |
| R-free | 0.20630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f0u |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.351 | 2.140 |
| High resolution limit [Å] | 2.099 | 2.100 |
| Rmerge | 0.094 | 0.354 |
| Number of reflections | 11649 | |
| <I/σ(I)> | 20 | |
| Completeness [%] | 99.9 | 0.993 |
| Redundancy | 13.6 | 13.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 0.1M MES, pH 6.0, 13% PEG 10,000, 0.3M Sodium Acetate, 5% gamma-butyrolacetone, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
