8W98
ESTS1 phthalate ester degrading esterase from Sulfobacillus acidophilus in complex with monoethylhexyl phtahalate and 2-ethylhexanol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-08-20 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 63 |
| Unit cell lengths | 108.004, 108.004, 44.662 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.955 - 1.900 |
| Rwork | 0.184 |
| R-free | 0.21720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.319 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.955 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.191 | |
| Rpim | 0.814 | |
| Number of reflections | 39498 | 39498 |
| <I/σ(I)> | 10.5 | 1.1 |
| Completeness [%] | 100.0 | |
| Redundancy | 3.01 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | Sodium Malonate, HEPES pH 7, Jeffamine ED-2001 |
