6F3M
Crystal structure of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa complexed with adenosine, K+ and Zn2+ cations
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 | CCD |
Collection date | 2013-11-21 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.9184 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 175.976, 104.145, 107.634 |
Unit cell angles | 90.00, 100.71, 90.00 |
Refinement procedure
Resolution | 48.700 - 1.600 |
R-factor | 0.1512 |
Rwork | 0.151 |
R-free | 0.17421 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6f3p |
RMSD bond length | 0.013 |
RMSD bond angle | 1.580 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.061 | |
Number of reflections | 244909 | |
<I/σ(I)> | 14.9 | |
Completeness [%] | 97.8 | |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 50 mM KH2PO4, 20 % (W/V) PEG8000, 2 mM adenosine |