8ECM
Crystal Structure Analysis of Acetyl-CoA acetyltransferase from Firmicutes bacterium
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-06-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 |
| Unit cell lengths | 75.230, 81.460, 160.190 |
| Unit cell angles | 95.61, 100.45, 108.27 |
Refinement procedure
| Resolution | 73.460 - 1.890 |
| R-factor | 0.1774 |
| Rwork | 0.176 |
| R-free | 0.20860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xl2 |
| Data reduction software | XDS |
| Data scaling software | xia2 (3.9.0) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 76.290 | 76.350 | 1.920 |
| High resolution limit [Å] | 1.890 | 5.130 | 1.890 |
| Rmeas | 0.099 | 0.073 | 1.651 |
| Rpim | 0.070 | 0.052 | 1.168 |
| Total number of observations | 500388 | 25094 | 25354 |
| Number of reflections | 263888 | 13549 | 13156 |
| <I/σ(I)> | 7.1 | 20.4 | 0.7 |
| Completeness [%] | 94.1 | 96.6 | 93.8 |
| Redundancy | 1.9 | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.9 | 293 | 100 mM sodium acetate, pH 4.9, 55% MPD, 20 mM CaCl2 |
