5I3A
Crystal Structure of tyrosinase from Bacillus megaterium with configuration A of hydroquinone inhibitor in the active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-11-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.648, 74.360, 120.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.538 - 2.200 |
R-factor | 0.2018 |
Rwork | 0.200 |
R-free | 0.22870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4p6r |
RMSD bond length | 0.002 |
RMSD bond angle | 0.734 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 63.334 | 35.543 | 2.090 |
High resolution limit [Å] | 1.982 | 6.270 | 1.980 |
Rmerge | 0.072 | 0.387 | |
Rmeas | 0.086 | 0.076 | 0.403 |
Rpim | 0.024 | 0.022 | 0.110 |
Total number of observations | 558159 | 18281 | 83538 |
Number of reflections | 44300 | ||
<I/σ(I)> | 18.2 | 34.4 | 6.2 |
Completeness [%] | 99.9 | 99.5 | 100 |
Redundancy | 12.6 | 11.8 | 13.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | PEG8000, sodium cacodylate |