6VI6
Observing a ring-cleaving dioxygenase in action through a crystalline lens - a substrate monodentately bound structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-14 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97919 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 57.990, 57.990, 231.860 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.995 - 1.901 |
| R-factor | 0.204 |
| Rwork | 0.199 |
| R-free | 0.25430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yfu |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.410 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.16) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
| Rmerge | 0.086 | 0.050 | 0.896 |
| Rmeas | 0.088 | 0.052 | 0.920 |
| Rpim | 0.021 | 0.013 | 0.206 |
| Total number of observations | 365092 | ||
| Number of reflections | 19246 | 1111 | 948 |
| <I/σ(I)> | 6.9 | ||
| Completeness [%] | 99.7 | 95.5 | 100 |
| Redundancy | 19 | 15.2 | 19.7 |
| CC(1/2) | 0.999 | 0.981 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 15% PEG8000, 0.1 M Tris-HCl, 0.2 M magnesium chloride, pH 8.5 |
