7Z53
Structure of native leukocyte myeloperoxidase in complex with a truncated version (SPIN truncated) of the Staphyloccal Peroxidase Inhibitor SPIN from Staphylococcus aureus
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 | 2021-10-11 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.8731 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 257.022, 157.196, 166.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.190 - 2.280 |
R-factor | 0.1768 |
Rwork | 0.174 |
R-free | 0.22910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7qzr |
RMSD bond length | 0.014 |
RMSD bond angle | 1.323 |
Data reduction software | XDS (Feb 5, 2021) |
Data scaling software | Aimless (0.7.7) |
Phasing software | MoRDa |
Refinement software | PHENIX (1.20rc4_4425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 76.190 | 2.341 |
High resolution limit [Å] | 2.260 | 2.260 |
Rmerge | 0.397 | |
Number of reflections | 315034 | 31286 |
<I/σ(I)> | 3.64 | |
Completeness [%] | 99.9 | |
Redundancy | 7.5 | |
CC(1/2) | 0.969 | 0.173 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 8% (w/V) PEG 20000, 0.1 M BICINE pH 9, 0.5% (V/V) Dioxane |