8JRD
Chalcone synthase from Glycine max (L.) Merr (soybean) complexed with naringenin and coenzyme A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32XU |
Synchrotron site | SPring-8 |
Beamline | BL32XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-24 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.610, 97.470, 157.540 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.780 - 1.830 |
R-factor | 0.15194 |
Rwork | 0.150 |
R-free | 0.18514 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.717 |
Data reduction software | DIALS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.940 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmeas | 0.220 | 1.330 |
Number of reflections | 75109 | 11886 |
<I/σ(I)> | 12.94 | 2.29 |
Completeness [%] | 100.0 | 100 |
Redundancy | 15.66 | 12.3 |
CC(1/2) | 0.997 | 0.745 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 30% PEG 4000, 0.2 M ammonium acetate, 0.1M sodium citrate |