9J5C
ESTS1 phthalate ester degrading esterase from Sulfobacillus acidophilus in complex with diethylhexyl phthalate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-01-14 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 63 |
| Unit cell lengths | 108.258, 108.258, 44.872 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.450 - 2.700 |
| Rwork | 0.214 |
| R-free | 0.29450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.148 |
| 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] | 25.640 | 2.830 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmeas | 0.430 | 1.000 |
| Number of reflections | 8440 | 8440 |
| <I/σ(I)> | 15.5 | 3.7 |
| Completeness [%] | 99.9 | |
| Redundancy | 3.06 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293.15 | Sodium malonate, 0.1 M HEPES (pH 7.0), Jeffamine ED-2001 |
