8A8T
Malonyl-CoA reductase from Chloroflexus aurantiacus - C-terminal NADP and malonate bound
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 | 2016-02-29 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.960, 126.290, 74.330 |
| Unit cell angles | 90.00, 104.84, 90.00 |
Refinement procedure
| Resolution | 63.150 - 2.110 |
| R-factor | 0.1833 |
| Rwork | 0.181 |
| R-free | 0.21830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8a30 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.890 |
| 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] | 63.150 | 2.185 |
| High resolution limit [Å] | 2.110 | 2.110 |
| Rmerge | 0.038 | 0.535 |
| Rmeas | 0.054 | 0.756 |
| Rpim | 0.038 | 0.535 |
| Number of reflections | 100168 | 5221 |
| <I/σ(I)> | 11.14 | 1.44 |
| Completeness [%] | 98.2 | 99.87 |
| Redundancy | 1.9 | 2 |
| CC(1/2) | 0.998 | 0.624 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.8 M succinic acid, pH 7.0, 0.5 mM NADPH co-crystallised |
