3MIL
Crystal structure of isoamyl acetate-hydrolyzing esterase from Saccharomyces cerevisiae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-11-23 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5417 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.565, 44.644, 81.842 |
| Unit cell angles | 90.00, 114.44, 90.00 |
Refinement procedure
| Resolution | 31.930 - 1.600 |
| R-factor | 0.19432 |
| Rwork | 0.193 |
| R-free | 0.21825 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.099 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.041 | 0.283 |
| Number of reflections | 56851 | |
| <I/σ(I)> | 17.7 | |
| Completeness [%] | 90.9 | 83.2 |
| Redundancy | 4.8 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 6.2 | 285 | 0.2M Ammonium fluoride, 20% (w/v) Polyethylene glycol 3350, pH 6.2, EVAPORATION, temperature 285K |
| 2 |
