3BU7
Crystal Structure and Biochemical Characterization of GDOsp, a Gentisate 1,2-Dioxygenase from Silicibacter Pomeroyi
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | H 3 2 |
Unit cell lengths | 129.999, 129.999, 246.255 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.930 - 2.800 |
R-factor | 0.212 |
Rwork | 0.210 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2d40 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.979 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 6.030 | 2.800 |
Rmerge | 0.112 | 0.065 | 0.423 |
Number of reflections | 20056 | ||
<I/σ(I)> | 8.2 | ||
Completeness [%] | 99.9 | 99.3 | 100 |
Redundancy | 11.2 | 10.4 | 11.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop | 289 | PEG3350,NaI, hanging drop, temperature 289K |