2HS8
Crystal structure of the Y364F mutant of 12-oxophytodienoate reductase 3 from tomato
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 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9392 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.168, 93.395, 89.453 |
| Unit cell angles | 90.00, 97.67, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.900 |
| Rwork | 0.226 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.550 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.100 | 0.232 |
| Number of reflections | 59726 | |
| <I/σ(I)> | 11.5 | 3.7 |
| Completeness [%] | 91.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M HEPES/NaOH, 10% PEG8000, 0.2 M calcium acetate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
