6VIA
Observing a ring-cleaving dioxygenase in action through a crystalline lens - a seven-membered lactone bound structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-08-11 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 58.517, 58.517, 231.902 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.732 - 1.591 |
R-factor | 0.2071 |
Rwork | 0.204 |
R-free | 0.24620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yfu |
RMSD bond length | 0.014 |
RMSD bond angle | 1.334 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.620 |
High resolution limit [Å] | 1.590 | 4.320 | 1.590 |
Rmerge | 0.083 | 0.046 | 0.821 |
Total number of observations | 1009118 | ||
Number of reflections | 32318 | 1834 | 1600 |
<I/σ(I)> | 5.9 | ||
Completeness [%] | 98.2 | 95.2 | 100 |
Redundancy | 31.2 | 26.9 | 33.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | 18% PEG8000, 0.1 M Tris-HCl, 0.2 M magnesium chloride, pH 8.5 |