4PTH
Ensemble model for Escherichia coli dihydrofolate reductase at 100K
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 | CCD |
| Collection date | 2005-04-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 33.960, 44.823, 98.254 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.000 - 0.850 |
| R-factor | 0.1268 |
| Rwork | 0.126 |
| R-free | 0.14450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rx2 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.555 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELX |
| Refinement software | PHENIX (1.8.4-1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.000 | 0.880 |
| High resolution limit [Å] | 0.850 | 0.850 |
| Rmerge | 0.049 | 0.550 |
| Number of reflections | 130200 | |
| <I/σ(I)> | 36.3 | 2.3 |
| Completeness [%] | 98.2 | 97.2 |
| Redundancy | 5.5 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 17% PEG 400, 20 mM imidazole pH 7.0, 125 mM MnCl2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
