7NZ5
monomeric acetyl-CoA synthase with Zn at the proximal position 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 | 2019-01-18 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.246, 98.811, 238.875 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.190 - 1.900 |
| R-factor | 0.1938 |
| Rwork | 0.193 |
| R-free | 0.22390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ru3 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.224 |
| Data reduction software | XDS (1.18.2_3874) |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.190 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.031 | 0.451 |
| Rmeas | 0.044 | 0.638 |
| Rpim | 0.031 | 0.451 |
| Number of reflections | 127825 | 9008 |
| <I/σ(I)> | 9.4 | 1.1 |
| Completeness [%] | 98.5 | |
| Redundancy | 2 | |
| CC(1/2) | 0.999 | 0.839 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 70 mM Bis-Tris-Propane pH 7.6, 30 mM citric acid, 24% w/v PEG 3350, 5 mM Ti(III)citrate |
