8AJW
Crystal structure of the Q65N 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 | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.503, 133.618, 100.865 |
Unit cell angles | 90.00, 103.18, 90.00 |
Refinement procedure
Resolution | 79.133 - 1.819 |
Rwork | 0.160 |
R-free | 0.19410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6f3m |
RMSD bond length | 0.013 |
RMSD bond angle | 1.378 |
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] | 79.133 | 1.917 |
High resolution limit [Å] | 1.819 | 1.819 |
Rmerge | 0.097 | 0.144 |
Rmeas | 0.156 | |
Number of reflections | 171257 | 27398 |
<I/σ(I)> | 12.05 | 1.11 |
Completeness [%] | 99.7 | |
Redundancy | 6.87 | |
CC(1/2) | 0.999 | 0.683 |
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 |