7AYC
Crystal Structure of human mitochondrial 2-Enoyl Thioester Reductase (MECR) with single mutation G165Q
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-17 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 71.516, 71.516, 143.768 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 56.950 - 2.020 |
R-factor | 0.2213 |
Rwork | 0.218 |
R-free | 0.25290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vcy |
RMSD bond length | 0.005 |
RMSD bond angle | 1.018 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.950 | 2.070 |
High resolution limit [Å] | 2.020 | 2.020 |
Rmerge | 0.056 | 2.475 |
Rmeas | 0.057 | 2.540 |
Rpim | 0.013 | 0.568 |
Number of reflections | 28740 | 2079 |
<I/σ(I)> | 23.5 | 1.3 |
Completeness [%] | 100.0 | |
Redundancy | 19.6 | |
CC(1/2) | 1.000 | 0.624 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 277 | 1M NaCl, 16.82%w/v Polyethylene glycol 6000, 100mM Acetic Acid pH:4.5 |