9J59
ESTS1 phthalate ester degrading esterase from Sulfobacillus acidophilus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-29 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 63 |
| Unit cell lengths | 108.057, 108.057, 44.542 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.950 - 1.550 |
| Rwork | 0.151 |
| R-free | 0.20550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.458 |
| 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] | 25.950 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmeas | 0.171 | 0.817 |
| Number of reflections | 47747 | 47747 |
| <I/σ(I)> | 6.5 | 1.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 2.93 |
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 |
