8AEO
Malonyl-CoA reductase from Chloroflexus aurantiacus - C-terminal R773A 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 | 87.715, 140.264, 73.838 |
| Unit cell angles | 90.00, 98.84, 90.00 |
Refinement procedure
| Resolution | 48.770 - 1.760 |
| R-factor | 0.1736 |
| Rwork | 0.172 |
| R-free | 0.20150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8a30 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.746 |
| 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] | 48.770 | 1.826 |
| High resolution limit [Å] | 1.760 | 1.763 |
| Rmerge | 0.034 | 0.354 |
| Rmeas | 0.049 | 0.501 |
| Rpim | 0.034 | 0.354 |
| Number of reflections | 161792 | 16583 |
| <I/σ(I)> | 10.56 | 1.99 |
| Completeness [%] | 98.3 | 99.44 |
| Redundancy | 1.9 | 1.9 |
| CC(1/2) | 0.998 | 0.592 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 0.1 M Sodium citrate tribasic dihydrate, 1 M Ammonium phosphate |
