4OUA
Coexistent single-crystal structure of latent and active mushroom tyrosinase (abPPO4) mediated by a hexatungstotellurate(VI)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-05-15 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9173 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 213.530, 83.720, 66.950 |
Unit cell angles | 90.00, 102.53, 90.00 |
Refinement procedure
Resolution | 48.132 - 2.763 |
R-factor | 0.1881 |
Rwork | 0.186 |
R-free | 0.22780 |
RMSD bond length | 0.011 |
RMSD bond angle | 0.587 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX (Phaser (MR)) |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.132 | 12.360 | 2.840 |
High resolution limit [Å] | 2.760 | 8.740 | 2.760 |
Rmerge | 0.129 | 0.027 | 0.607 |
Number of reflections | 1164 | 3502 | |
<I/σ(I)> | 6.53 | 24.08 | 1.49 |
Completeness [%] | 92.6 | 98.3 | 82.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 10% PEG4000, 1 mM Na6[TeW6O24].22H2O, 25 mM Tris-HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |