8ZE9
ESTS1 phthalate ester degrading esterase from Sulfobacillus acidophilus S154A mutant in complex with diethylhexyl phthalate at 2.4A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-22 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 63 |
| Unit cell lengths | 107.499, 107.499, 44.919 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.073 - 2.400 |
| Rwork | 0.173 |
| R-free | 0.24640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.456 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.073 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.145 | 0.337 |
| Number of reflections | 11809 | 11809 |
| <I/σ(I)> | 12.8 | |
| Completeness [%] | 100.0 | |
| Redundancy | 15.2 | |
| CC(1/2) | 0.997 | 0.957 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 293.15 | Lithium sulphate, 0.1M Tris, Ammonium sulphate |
