9F66
Crystal structure of Heme-Oxygenase from Corynebacterium diphtheriae complexed with Cobalt-porphyrine (HumO-Co(III)) flash-cooled under CO2 pressure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-15 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.87313 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 66.947, 70.671, 94.561 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.600 - 1.850 |
| R-factor | 0.1879 |
| Rwork | 0.186 |
| R-free | 0.23050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.471 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.600 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmeas | 0.171 | 0.987 |
| Number of reflections | 17708 | 1026 |
| <I/σ(I)> | 4.6 | |
| Completeness [%] | 92.2 | 87.7 |
| Redundancy | 3.9 | 3.6 |
| CC(1/2) | 0.996 | 0.522 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 294 | 12-16% PEG 1000 and 0.1M citric acid at pH 3.5 |
