3IA5
Moritella profunda dihydrofolate reductase (DHFR)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-13 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.9696 |
| Spacegroup name | P 41 |
| Unit cell lengths | 94.728, 94.728, 45.912 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.364 - 2.100 |
| R-factor | 0.1922 |
| Rwork | 0.189 |
| R-free | 0.24580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.398 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.300 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.097 | 0.440 |
| Number of reflections | 22028 | |
| <I/σ(I)> | 11.7 | 3.8 |
| Completeness [%] | 91.0 | 94 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 0.1 M Tris-sodium citrate, 2.0 M ammonium sulfate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
