6IQY
High resolution structure of bilirubin oxidase from Myrothecium verrucaria - M467Q mutant, anaerobically prepared
Replaces: 5ZD7Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-03-04 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.298, 152.253, 69.908 |
Unit cell angles | 90.00, 91.66, 90.00 |
Refinement procedure
Resolution | 45.861 - 1.600 |
R-factor | 0.1916 |
Rwork | 0.191 |
R-free | 0.22480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xll |
RMSD bond length | 0.008 |
RMSD bond angle | 1.190 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.125 | 0.557 |
Number of reflections | 162206 | |
<I/σ(I)> | 11.49 | 2.22 |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 3.3 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M MES PH 5.5, 12% (W/V) PEG 8000, 0.1M CALCIUM ACETATE, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K |