8HWP
Crystal Structure of Mutant GDSL Esterase of Photobacterium sp. J15 S12A in Complex with Butyrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-04-29 |
| Detector | RIGAKU |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.007, 56.626, 119.678 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.730 |
| R-factor | 0.2424 |
| Rwork | 0.241 |
| R-free | 0.27470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.044 |
| Data reduction software | iMOSFLM |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.037 | 0.339 |
| Number of reflections | 117000 | 39377 |
| <I/σ(I)> | 20.3 | |
| Completeness [%] | 98.6 | 89.3 |
| Redundancy | 3 | 1.8 |
| CC(1/2) | 0.790 | 0.790 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.2 M ammonium acetate as salt, 30% (w/v) polyethylene glycol 4,000 as precipitant in 0.1 M sodium acetate trihydrate buffer at pH 4.6 |
