7P8U
Crystal Structure of leukotoxin LukE from Staphylococcus aureus in complex with p-cresyl sulfate
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) | 0.96545 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.583, 73.488, 79.338 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.650 - 1.600 |
R-factor | 0.1825 |
Rwork | 0.181 |
R-free | 0.20460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7p8t |
RMSD bond length | 0.009 |
RMSD bond angle | 1.100 |
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] | 47.650 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 48967 | 2360 |
<I/σ(I)> | 15.5 | |
Completeness [%] | 99.3 | |
Redundancy | 3.4 | |
CC(1/2) | 0.996 | 0.624 |
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 |