6F3P
Crystal structure of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa in complex with 3'-deoxyadenosine and K+ cation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-06 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 142.900, 85.740, 112.010 |
Unit cell angles | 90.00, 122.20, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.350 |
R-factor | 0.10088 |
Rwork | 0.101 |
R-free | 0.12701 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1li4 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.767 |
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] | 30.000 | 1.400 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.066 | |
Number of reflections | 245319 | |
<I/σ(I)> | 13.1 | |
Completeness [%] | 98.6 | |
Redundancy | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 50 mM KH2PO4, 15% (W/V) PEG8000, 20% (V/V) GLYCEROL, 2 mM 3'-deoxyadenosine |