8A7S
Malonyl-CoA reductase from Chloroflexus aurantiacus - C-terminal NADP bound
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 | 2016-10-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97626 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 87.196, 140.718, 74.314 |
| Unit cell angles | 90.00, 98.41, 90.00 |
Refinement procedure
| Resolution | 49.030 - 1.542 |
| R-factor | 0.1715 |
| Rwork | 0.170 |
| R-free | 0.19790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8a30 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.798 |
| 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] | 49.030 | 1.597 |
| High resolution limit [Å] | 1.542 | 1.542 |
| Rmerge | 0.046 | 0.450 |
| Rmeas | 0.065 | 0.636 |
| Rpim | 0.046 | 0.450 |
| Number of reflections | 212003 | 4951 |
| <I/σ(I)> | 4.2 | |
| Completeness [%] | 86.5 | 38.23 |
| Redundancy | 1.9 | 1.5 |
| CC(1/2) | 0.996 | 0.628 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.8 M succinic acid, pH 7.0 |
