5I38
Crystal Structure of tyrosinase from Bacillus megaterium with inhibitor kojic acid in the active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-12-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.93936 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.240, 74.970, 121.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.824 - 2.600 |
R-factor | 0.2097 |
Rwork | 0.208 |
R-free | 0.24060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4p6r |
RMSD bond length | 0.002 |
RMSD bond angle | 0.521 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER (2.3.0) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 63.831 | 40.567 | 2.640 |
High resolution limit [Å] | 2.500 | 7.910 | 2.500 |
Rmerge | 0.082 | 0.252 | |
Number of reflections | 20671 | ||
<I/σ(I)> | 9.7 | 7.6 | 2.5 |
Completeness [%] | 90.4 | 86.9 | 99.3 |
Redundancy | 6.2 | 6.5 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | PEG8000, sodium cacodylate |