7YC0
Acetylesterase (LgEstI) W.T.
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 | 2021-11-16 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 54.410, 92.770, 218.111 |
| Unit cell angles | 90.00, 96.61, 90.00 |
Refinement procedure
| Resolution | 28.490 - 2.000 |
| Rwork | 0.192 |
| R-free | 0.23490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | model |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.565 |
| 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] | 28.490 | 2.040 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.540 | |
| Number of reflections | 71847 | 4652 |
| <I/σ(I)> | 16.1 | |
| Completeness [%] | 98.7 | |
| Redundancy | 6.9 | |
| CC(1/2) | 0.999 | 0.961 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1M Tris-HCl, pH 7.0, 0.2M calcium acetate hydrate, 20% (w/v) PEG 3000 |
