7YC4
Acetylesterase (LgEstI) F207A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-08 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 99.200, 127.390, 104.760 |
| Unit cell angles | 90.00, 90.17, 90.00 |
Refinement procedure
| Resolution | 29.365 - 2.100 |
| Rwork | 0.192 |
| R-free | 0.24510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7yc0 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.538 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.365 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.712 | |
| Number of reflections | 151387 | 7500 |
| <I/σ(I)> | 10.7 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.997 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M Potassium Formate, pH 7.3, 20% (w/v) PEG 3350 |
