4PTJ
Ensemble model for Escherichia coli dihydrofolate reductase at 277K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 277 |
| 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 | 34.299, 45.521, 98.711 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.400 - 1.050 |
| R-factor | 0.1374 |
| Rwork | 0.136 |
| R-free | 0.16550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rx2 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.508 |
| 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] | 49.400 | 1.090 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.045 | 0.458 |
| Number of reflections | 71782 | |
| <I/σ(I)> | 40.8 | 5.2 |
| Completeness [%] | 98.3 | 97.2 |
| Redundancy | 9.9 | 9.1 |
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 |
