5CCC
wild-type E.coli dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and oxidized nicotinamide adenine dinucleotide phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97945 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.131, 58.199, 75.212 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.028 - 1.500 |
| R-factor | 0.1745 |
| Rwork | 0.171 |
| R-free | 0.23810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rx6 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.340 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.030 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.960 | |
| Number of reflections | 24646 | |
| <I/σ(I)> | 33.1 | 1.9 |
| Completeness [%] | 99.6 | 96.8 |
| Redundancy | 11.3 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.1M tris(hydroxymethyl) aminomethane, 20% w/v PEG3350 and 0.2M calcium acetate |
