9QGA
Structure of native leukocyte myeloperoxidase in complex with a truncated version of the Staphylococcal Peroxidase Inhibitor SPIN and bromide at pH 7.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 213.15 |
| Detector technology | PIXEL |
| Collection date | 2023-05-06 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.9075 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 111.919, 111.919, 241.758 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.080 - 2.210 |
| R-factor | 0.19546 |
| Rwork | 0.193 |
| R-free | 0.25234 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.603 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.010 | 2.350 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.324 | 2.367 |
| Rmeas | 0.329 | 2.423 |
| Rpim | 0.056 | 0.498 |
| Number of reflections | 66495 | 3325 |
| <I/σ(I)> | 17.5 | 1.5 |
| Completeness [%] | 94.0 | 51.5 |
| Redundancy | 35.8 | 21.5 |
| CC(1/2) | 0.992 | 0.544 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295.15 | 0.1 M TRIS 7.5 pH 6 %(w/v) PEG 8K 8 %(w/v) PEG 1K 0.4 M NaI |
