7R6G
Crystal structure of DfrA5 dihydrofolate reductase in complex with TRIMETHOPRIM and NADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-01-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 43 |
| Unit cell lengths | 99.530, 99.530, 42.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 99.530 - 2.610 |
| R-factor | 0.18 |
| Rwork | 0.177 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rx2 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.890 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.530 | 2.730 |
| High resolution limit [Å] | 2.610 | 2.610 |
| Rmerge | 0.170 | |
| Rpim | 0.074 | 0.497 |
| Number of reflections | 13057 | 1579 |
| <I/σ(I)> | 7.9 | 2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.3 | 6.5 |
| CC(1/2) | 0.971 | 0.591 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277.15 | 23% to 25% PEG3350, 0.1M Mes pH 6.0, 0.3M LiSO4 and 2mM DTT |
