8OGI
Structure of native human eosinophil peroxidase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-04-01 |
| Detector | DECTRIS PILATUS3 X 2M |
| Wavelength(s) | 0.88560 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.123, 85.562, 139.395 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.570 - 1.547 |
| R-factor | 0.1746 |
| Rwork | 0.174 |
| R-free | 0.18540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS (Jan 10, 2022) |
| Data scaling software | Aimless (0.7.9) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.937 | 42.937 | 1.574 |
| High resolution limit [Å] | 1.547 | 4.199 | 1.547 |
| Rmerge | 0.110 | 0.061 | 1.694 |
| Rmeas | 0.117 | 0.065 | 1.842 |
| Rpim | 0.038 | 0.022 | 0.698 |
| Total number of observations | 842329 | 43550 | 27119 |
| Number of reflections | 92624 | 4993 | 4141 |
| <I/σ(I)> | 9.94 | 28.21 | 0.86 |
| Completeness [%] | 99.1 | 100 | 89.7 |
| Redundancy | 9.09 | 8.72 | 6.55 |
| CC(1/2) | 0.996 | 0.996 | 0.377 |
| Anomalous redundancy | 4.8 | 4.9 | 3.4 |
| CC(ano) | -0.363 | -0.464 | -0.005 |
| |DANO|/σ(DANO) | 0.6 | 0.5 | 0.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.2 M Trisodium Citrate, pH 4.1, 20 % (w/V) PEG |
