9KZ4
Dihydrofolate reductase binding to NADPH and trimethoprim-tetramethylrhodamine
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-18 |
| Detector | STFC Large Pixel Detector |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 79.995, 79.995, 106.073 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.360 - 1.708 |
| Rwork | 0.171 |
| R-free | 0.19560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.151 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (v1.16) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.360 | 1.769 |
| High resolution limit [Å] | 1.708 | 1.708 |
| Rmerge | 0.247 | |
| Rmeas | 0.013 | 0.349 |
| Rpim | 0.247 | |
| Number of reflections | 43154 | 8558 |
| <I/σ(I)> | 27.09 | 2.45 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.3 | |
| CC(1/2) | 1.000 | 0.837 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 300 | PEG 3350, Bis-Tris, magnesium dichloride |
