8AVU
Racemic protein crystal structure of aureocin A53 from Staphylococcus aureus in the dimeric state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-28 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.8153 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 79.560, 23.077, 52.609 |
Unit cell angles | 90.00, 114.35, 90.00 |
Refinement procedure
Resolution | 21.990 - 0.890 |
Rwork | 0.194 |
R-free | 0.21050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2n8o |
RMSD bond length | 0.010 |
RMSD bond angle | 1.713 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.990 | 0.910 |
High resolution limit [Å] | 0.890 | 0.890 |
Number of reflections | 62368 | 1522 |
<I/σ(I)> | 17.2 | 1 |
Completeness [%] | 92.7 | 46.4 |
Redundancy | 5.9 | 3.5 |
CC(1/2) | 1.000 | 0.831 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | A racemic mixture of L-Aureocin A53 and D-Aureocin A53 at 40 mg/mL concentration was mixed 1:1 with 0.7 M sodium citrate, 0.1 M Tris precipitant condition, pH 8.5 in a 0.4 microlitre sitting drop. Crystals were submerged in 2.0 M lithium sulphate as cryoprotectant and flash frozen in liquid nitrogen during harvesting. |