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 |
