9J1G
ESTS1 phthalate ester degrading esterase from Sulfobacillus acidophilus in complex with 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 | 2022-08-20 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 63 |
| Unit cell lengths | 108.386, 108.386, 44.628 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.111 - 1.500 |
| Rwork | 0.118 |
| R-free | 0.16270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.557 |
| 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] | 27.120 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.200 | 1.375 |
| Number of reflections | 48160 | 48160 |
| <I/σ(I)> | 15.7 | 2.2 |
| Completeness [%] | 99.2 | 99.7 |
| Redundancy | 2.87 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293.15 | Sodium malonate, 0.1 M HEPES (pH 7.0), and Jeffamine ED-2001 |
