6F3N
Crystal structure of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa cocrystallized with SAH in the presence of K+ and Zn2+ cations
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.3 |
Synchrotron site | BESSY |
Beamline | 14.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-12-06 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.8950 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 170.585, 99.275, 111.721 |
Unit cell angles | 90.00, 101.90, 90.00 |
Refinement procedure
Resolution | 24.820 - 1.850 |
R-factor | 0.15136 |
Rwork | 0.151 |
R-free | 0.17648 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.599 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.082 | |
Number of reflections | 152489 | |
<I/σ(I)> | 10.2 | |
Completeness [%] | 98.3 | |
Redundancy | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 50 mM KH2PO4, 20% (w/v) PEG8000, 1 mM S-adenosyl-L-homocysteine |