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 |