8AJS
Crystal structure of the F324A 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 | 2021-11-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 177.844, 134.962, 109.393 |
Unit cell angles | 90.00, 106.04, 90.00 |
Refinement procedure
Resolution | 105.921 - 1.680 |
Rwork | 0.151 |
R-free | 0.17780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6f3m |
RMSD bond length | 0.013 |
RMSD bond angle | 1.382 |
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] | 105.921 | 1.780 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.064 | |
Number of reflections | 280732 | 44792 |
<I/σ(I)> | 11.76 | 1.02 |
Completeness [%] | 99.6 | 98.5 |
Redundancy | 5.319 | |
CC(1/2) | 0.998 | 0.560 |
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 |