8AJU
Crystal structure of the Q65A mutant of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa cocrystallized with adenosine in the presence of K+ cations
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-07 |
| Detector | DECTRIS PILATUS3 S 2M |
| Wavelength(s) | 0.918400 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 142.132, 85.925, 125.568 |
| Unit cell angles | 90.00, 131.18, 90.00 |
Refinement procedure
| Resolution | 41.679 - 1.645 |
| Rwork | 0.167 |
| R-free | 0.19830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6f3m |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.629 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.679 | 1.740 |
| High resolution limit [Å] | 1.645 | 1.650 |
| Number of reflections | 136460 | 21330 |
| <I/σ(I)> | 7.57 | 1.14 |
| Completeness [%] | 98.8 | 95.9 |
| Redundancy | 3.764 | |
| CC(1/2) | 0.995 | 0.543 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 50 mM KH2PO4, 20% (w/v) PEG8000, 20% (v/v) glycerol |
