9KU6
Crystal structure of the complex of lactoperoxidase with nitric oxide at 1.72 A resolution
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 | 2023-07-22 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.87 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.020, 80.405, 75.844 |
| Unit cell angles | 90.00, 103.12, 90.00 |
Refinement procedure
| Resolution | 73.860 - 1.720 |
| Rwork | 0.186 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.727 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.860 | 1.750 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.060 | 1.210 |
| Number of reflections | 66501 | 3455 |
| <I/σ(I)> | 7.8 | 0.6 |
| Completeness [%] | 99.2 | 97.8 |
| Redundancy | 3.5 | 3.6 |
| CC(1/2) | 0.990 | 0.650 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.2M AMMONIUM IODIDE, 21% PEG 3350 |
