8AER
Malonyl-CoA reductase from Chloroflexus aurantiacus - C-terminal Y731A 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 | 101.710, 124.510, 74.680 |
| Unit cell angles | 90.00, 105.09, 90.00 |
Refinement procedure
| Resolution | 48.000 - 1.770 |
| R-factor | 0.1748 |
| Rwork | 0.174 |
| R-free | 0.19640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8a30 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.991 |
| 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] | 48.000 | 1.833 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.044 | 0.399 |
| Rmeas | 0.063 | 0.564 |
| Rpim | 0.045 | |
| Number of reflections | 156726 | 15751 |
| <I/σ(I)> | 9.44 | 1.53 |
| Completeness [%] | 96.2 | 97.09 |
| Redundancy | 1.9 | 1.9 |
| CC(1/2) | 0.997 | 0.665 |
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 |
