8AET
Malonyl-CoA reductase from Chloroflexus aurantiacus - C-terminal E779W variant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 87.167, 139.643, 73.306 |
Unit cell angles | 90.00, 98.29, 90.00 |
Refinement procedure
Resolution | 50.300 - 2.000 |
R-factor | 0.192 |
Rwork | 0.191 |
R-free | 0.22010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8a30 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.803 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.300 | 2.072 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.055 | 0.429 |
Rmeas | 0.077 | 0.606 |
Rpim | 0.055 | 0.429 |
Number of reflections | 112286 | 10828 |
<I/σ(I)> | 7.41 | 1.45 |
Completeness [%] | 97.9 | 96.69 |
Redundancy | 1.9 | 1.9 |
CC(1/2) | 0.995 | 0.691 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M Sodium cacodylate, pH 6.5, 1.4 M Sodium acetate trihydrate |