7MP4
Crystal structure of Epiphyas postvittana antennal carboxylesterase 24
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-07 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.953646 |
| Spacegroup name | P 1 |
| Unit cell lengths | 107.475, 113.967, 125.772 |
| Unit cell angles | 78.31, 70.18, 65.88 |
Refinement procedure
| Resolution | 48.840 - 2.430 |
| R-factor | 0.1822 |
| Rwork | 0.180 |
| R-free | 0.21470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5thm |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.350 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MoRDa |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.840 | 48.840 | 2.470 |
| High resolution limit [Å] | 2.430 | 13.310 | 2.430 |
| Rmerge | 0.111 | 0.027 | 0.804 |
| Rmeas | 0.130 | 0.032 | 0.945 |
| Rpim | 0.067 | 0.018 | 0.492 |
| Total number of observations | 3984 | 33652 | |
| Number of reflections | 189143 | 1117 | 9288 |
| <I/σ(I)> | 8.8 | 30.1 | 1.4 |
| Completeness [%] | 98.2 | 96.1 | 97.4 |
| Redundancy | 3.7 | 3.6 | 3.6 |
| CC(1/2) | 0.994 | 0.973 | 0.655 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M Tris, pH 7.5 25% SOKALAN CP5 |
