9D1K
The alpha-E7 carboxylesterase from Anopheles gambiae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.517, 108.119, 115.623 |
| Unit cell angles | 90.00, 101.38, 90.00 |
Refinement procedure
| Resolution | 48.790 - 1.790 |
| R-factor | 0.2085 |
| Rwork | 0.207 |
| R-free | 0.24290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.888 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.790 | 1.820 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.062 | 1.434 |
| Rmeas | 0.071 | 1.650 |
| Rpim | 0.035 | 0.807 |
| Total number of observations | 787182 | 40613 |
| Number of reflections | 197265 | 9791 |
| <I/σ(I)> | 10.9 | 1 |
| Completeness [%] | 99.5 | |
| Redundancy | 4 | 4.1 |
| CC(1/2) | 0.998 | 0.368 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 24% PEG 4K, 0.2M MgCl2, 0.1M Tris pH 8.1 |
