6F3Q
Crystal structure of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa in complex with adenine and Rb+ cation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.8077 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 170.492, 99.442, 111.714 |
Unit cell angles | 90.00, 101.93, 90.00 |
Refinement procedure
Resolution | 48.530 - 1.450 |
R-factor | 0.09325 |
Rwork | 0.093 |
R-free | 0.12443 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6f3p |
RMSD bond length | 0.018 |
RMSD bond angle | 1.804 |
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 | 1.540 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.049 | |
Number of reflections | 318355 | |
<I/σ(I)> | 16.6 | |
Completeness [%] | 98.6 | |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 50 mM RbH2PO4, 20% (w/v) PEG8000, 2 mM 2'-deoxyadenosine |