7Y8B
Crystal structure of CotA laccase complexed with syringic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NFPSS BEAMLINE BL19U1 |
Synchrotron site | NFPSS |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-01-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9790 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.083, 118.859, 82.966 |
Unit cell angles | 90.00, 94.40, 90.00 |
Refinement procedure
Resolution | 43.080 - 2.000 |
R-factor | 0.1686 |
Rwork | 0.166 |
R-free | 0.21220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4q89 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.400 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.070 | 0.390 |
Number of reflections | 67401 | 4409 |
<I/σ(I)> | 12.1 | 2.9 |
Completeness [%] | 97.5 | |
Redundancy | 4.9 | |
CC(1/2) | 0.995 | 0.850 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 12-15.5% PEG3350, 0.1M MgCl2, 0.1M pH 6.5 Bis-tris, VAPOR DIFFUSION, HANGING DROP, temperature 291K |