6F3O
Crystal structure of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa complexed with adenine, 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 | 170.839, 99.614, 111.825 |
Unit cell angles | 90.00, 101.97, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.750 |
R-factor | 0.14003 |
Rwork | 0.140 |
R-free | 0.16712 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6f3p |
RMSD bond length | 0.015 |
RMSD bond angle | 1.657 |
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 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.078 | |
Number of reflections | 182928 | |
<I/σ(I)> | 17.6 | |
Completeness [%] | 99.9 | |
Redundancy | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 50 mM KH2PO4, 20% (w/v) PEG8000, 2 mM 2'-deoxyadenosine |