8GKD
Crystal structure of the peptidoglycan O-acetylesterase Ape1 (amino acids 41-392) from Campylobacter jejuni
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | P 32 |
Unit cell lengths | 94.905, 94.905, 102.741 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.860 - 1.800 |
Rwork | 0.166 |
R-free | 0.18750 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.17.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
Rmerge | 0.100 | 0.057 | 0.798 |
Rmeas | 0.110 | 0.063 | 0.890 |
Rpim | 0.045 | 0.026 | 0.386 |
Total number of observations | 546678 | ||
Number of reflections | 95429 | 4754 | 4803 |
<I/σ(I)> | 5.5 | ||
Completeness [%] | 99.7 | 98.9 | 99.7 |
Redundancy | 5.7 | 5.9 | 5.1 |
CC(1/2) | 0.997 | 0.810 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 100 mM CAPS pH 10.5, 200 mM NaCl, 16% (w/v) PEG8000, 2.5% (w/v) PEG3350 |