9J5D
ESTS1 phthalate ester degrading esterase from Sulfobacillus acidophilus in complex with dimethyl phthalate on surface
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-30 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 63 |
| Unit cell lengths | 108.038, 108.038, 44.546 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.562 - 1.500 |
| Rwork | 0.151 |
| R-free | 0.20020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.425 |
| 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] | 27.700 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmeas | 0.158 | 1.000 |
| Number of reflections | 58638 | 58638 |
| <I/σ(I)> | 8.6 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.02 |
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 |
