9J57
ESTS1 phthalate ester degrading esterase from Sulfobacillus acidophilus in complex with paranitrophenyl butyrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-01-13 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 63 |
| Unit cell lengths | 108.048, 108.048, 44.672 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.404 - 1.800 |
| Rwork | 0.122 |
| R-free | 0.18540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| 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] | 27.730 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmeas | 0.040 | 1.000 |
| Number of reflections | 27832 | 27832 |
| <I/σ(I)> | 15.2 | 2.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.93 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293.15 | Sodium malonate, 0.1 M HEPES (pH 7.0), Jeffamine ED-2001 |
