8B32
Chalcone synthase from Hordeum vulgare complexed with CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 291 |
Detector technology | PIXEL |
Collection date | 2022-03-04 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.805, 98.963, 138.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.829 - 1.700 |
Rwork | 0.177 |
R-free | 0.20460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6dxb |
RMSD bond length | 0.013 |
RMSD bond angle | 1.757 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.829 | 45.790 | 1.730 |
High resolution limit [Å] | 1.700 | 9.310 | 1.700 |
Rmerge | 0.070 | 0.041 | 1.334 |
Rmeas | 0.076 | 0.044 | 1.440 |
Rpim | 0.029 | 0.017 | 0.536 |
Number of reflections | 117451 | 117451 | 117451 |
<I/σ(I)> | 18.3 | ||
Completeness [%] | 99.8 | ||
Redundancy | 13.2 | 10.8 | 13.7 |
CC(1/2) | 0.999 | 0.998 | 0.885 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.1M MES/Imidazole pH6.5; 0.03M MgCl2 0.03M CaCl2; 16% Glycerol; 8% PEG4000 |