7P8X
Crystal Structure of leukotoxin LukE from Staphylococcus aureus in complex with a doubly sulfated CCR2 N-terminal peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-01-31 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.96546 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.298, 72.411, 79.001 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.810 - 1.400 |
R-factor | 0.1871 |
Rwork | 0.186 |
R-free | 0.19770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7p8t |
RMSD bond length | 0.011 |
RMSD bond angle | 1.210 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.400 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 72136 | 3432 |
<I/σ(I)> | 15.8 | |
Completeness [%] | 99.2 | |
Redundancy | 4.1 | |
CC(1/2) | 0.999 | 0.483 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293.15 | 0.1 M Imidazole.HCl pH 8.0, 30% (w/v) MPD, 10% (w/v) PEG 4000 |