8DQP
Crystal structure of Arabidopsis thaliana COSY in complex with scopoletin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-26 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9791 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.459, 58.349, 273.281 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 68.320 - 2.480 |
R-factor | 0.1781 |
Rwork | 0.173 |
R-free | 0.28080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8dqo |
RMSD bond length | 0.024 |
RMSD bond angle | 2.368 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 136.090 | 2.569 |
High resolution limit [Å] | 2.480 | 2.480 |
Rmerge | 0.732 | |
Rmeas | 1.036 | |
Rpim | 0.732 | |
Number of reflections | 33466 | 3278 |
<I/σ(I)> | 10.64 | 0.89 |
Completeness [%] | 97.5 | 96.88 |
Redundancy | 1.9 | 2 |
CC(1/2) | 0.999 | 0.474 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298.15 | 50 mM calcium acetate, 0.1M sodium cacodylate pH 6.5, 20% glycerol, 500 uM scopoletin, 5 mg/mL protein |