7NYS
monomeric acetyl-CoA synthase in closed conformation with carbon monoxide bound to the Ni proximal of cluster A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-13 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.276, 99.200, 238.584 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.560 - 2.000 |
| R-factor | 0.185 |
| Rwork | 0.184 |
| R-free | 0.22140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ru3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.977 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.560 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.048 | 0.629 |
| Rmeas | 0.067 | 0.889 |
| Rpim | 0.048 | 0.629 |
| Number of reflections | 112519 | 7917 |
| <I/σ(I)> | 9.1 | 1 |
| Completeness [%] | 99.2 | 99.4 |
| Redundancy | 2 | |
| CC(1/2) | 0.999 | 0.574 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.1 M sodium malonate pH 6, 20% w/v PEG 3350, 5 mM Ti(III)citrate |
