6Y0K
Sulfite oxidase from Thermus thermophilus with coordinated phosphate
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.96851 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 130.600, 130.600, 114.590 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.749 - 1.700 |
| Rwork | 0.166 |
| R-free | 0.19090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2blf |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.498 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.750 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.082 | 1.063 |
| Rpim | 0.022 | 0.286 |
| Number of reflections | 63544 | 6247 |
| <I/σ(I)> | 18.68 | 2.67 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 13.6 | 14 |
| CC(1/2) | 0.999 | 0.826 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 1.8 Na/K phosphate |
