7YJ8
Crystal structure of Stenoloma chusanum chalcone synthase 1 (ScCHS1) complex with Pinocembrin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9798 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 67.612, 72.572, 83.555 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.395 - 2.200 |
R-factor | 0.1779 |
Rwork | 0.173 |
R-free | 0.22380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7vey |
RMSD bond length | 0.009 |
RMSD bond angle | 1.065 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.395 | 2.279 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 26056 | 1315 |
<I/σ(I)> | 30.3 | |
Completeness [%] | 86.3 | |
Redundancy | 12.1 | |
CC(1/2) | 0.996 | 0.986 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Sodium chloride, 0.1 M HEPES pH 7.5, 25% w/v PEG 3350 |