8AEQ
Malonyl-CoA reductase from Chloroflexus aurantiacus - C-terminal R773Q 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 | 102.069, 123.652, 74.252 |
Unit cell angles | 90.00, 105.50, 90.00 |
Refinement procedure
Resolution | 47.670 - 1.640 |
R-factor | 0.1808 |
Rwork | 0.179 |
R-free | 0.20550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8a30 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.765 |
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] | 47.670 | 1.699 |
High resolution limit [Å] | 1.640 | 1.640 |
Rmerge | 0.028 | 0.834 |
Rmeas | 0.040 | |
Rpim | 0.028 | 0.834 |
Number of reflections | 196275 | 19284 |
<I/σ(I)> | 11.08 | 1.56 |
Completeness [%] | 96.6 | 94.63 |
Redundancy | 1.9 | 1.9 |
CC(1/2) | 0.999 | 0.368 |
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 |