3K2O
Structure of an oxygenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.440, 102.030, 98.218 |
| Unit cell angles | 90.00, 95.89, 90.00 |
Refinement procedure
| Resolution | 19.851 - 1.750 |
| R-factor | 0.1935 |
| Rwork | 0.192 |
| R-free | 0.22460 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.386 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SHARP |
| Refinement software | PHENIX ((phenix.refine: 1.4_162)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 148.000 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.052 | 0.437 |
| Number of reflections | 95190 | |
| <I/σ(I)> | 9.1 | 1.7 |
| Completeness [%] | 97.7 | 98.4 |
| Redundancy | 2.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | 0.8M NaH2PO4, 0.8M KH2PO4, 0.1M NaHEPES 7.5, VAPOR DIFFUSION, temperature 293K |
