8V8N
Switchgrass Chalcone Synthase C170S
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-04-16 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.757, 61.722, 204.087 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.330 - 2.120 |
R-factor | 0.2096 |
Rwork | 0.209 |
R-free | 0.21120 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.524 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.20_4459: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.160 |
High resolution limit [Å] | 2.120 | 5.750 | 2.120 |
Rmerge | 0.138 | 0.064 | 0.432 |
Rmeas | 0.164 | 0.075 | 0.519 |
Rpim | 0.085 | 0.039 | 0.280 |
Number of reflections | 148323 | 2131 | 1528 |
<I/σ(I)> | 3.6 | ||
Completeness [%] | 95.3 | 94.8 | 77.7 |
Redundancy | 3.5 | 3.7 | 2.7 |
CC(1/2) | 0.979 | 0.988 | 0.824 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.2 M Potassium Sodium Tartrate, 20% PEG 3350 |