7Y3W
Crystal structure of an questin oxidase (BTG13) from Cercospora sp. JNU001
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 | 2019-04-12 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.781, 99.618, 130.638 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.100 - 1.900 |
R-factor | 0.1515 |
Rwork | 0.150 |
R-free | 0.18170 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.646 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AutoSol |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
Rmerge | 0.145 | 0.038 | 0.799 |
Rmeas | 0.154 | 0.041 | 0.861 |
Rpim | 0.051 | 0.013 | 0.310 |
Total number of observations | 709190 | ||
Number of reflections | 80589 | 8535 | 7151 |
<I/σ(I)> | 4.6 | ||
Completeness [%] | 98.7 | 99.6 | 88.9 |
Redundancy | 8.8 | 8.9 | 7 |
CC(1/2) | 0.998 | 0.706 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.45 | 291 | 0.1 M Bis-Tris pH 6.45, 16% PEG10000 |