7CW4
Acetyl-CoA acetyltransferase from Bacillus cereus ATCC 14579
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-04-24 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9793 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 144.346, 54.376, 108.508 |
Unit cell angles | 90.00, 109.20, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.560 |
R-factor | 0.1584 |
Rwork | 0.157 |
R-free | 0.18590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5lp7 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.799 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 102.470 | 50.000 | 1.590 |
High resolution limit [Å] | 1.560 | 4.230 | 1.560 |
Rmerge | 0.069 | 0.042 | 0.336 |
Rmeas | 0.076 | 0.046 | 0.388 |
Rpim | 0.031 | 0.018 | 0.189 |
Number of reflections | 110441 | 5839 | 5296 |
<I/σ(I)> | 11.3 | ||
Completeness [%] | 97.6 | 99.5 | 94.3 |
Redundancy | 5.1 | 6.6 | 3.7 |
CC(1/2) | 0.998 | 0.576 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 16% (w/v) PEG3350, 0.18 M Magnesium sulfate heptahydrate |