2H44
Crystal structure of PDE5A1 in complex with icarisid II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-09-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 110.746, 110.746, 106.159 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| Rwork | 0.206 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rkp |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.310 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.061 | 0.456 |
| Number of reflections | 36177 | |
| <I/σ(I)> | 13.6 | 4.3 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 11.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 2 mM icarisid II mixed with 15 mg/mL protein overnight, crystallized against a well buffer of 0.1 M HEPES, 12% PEG3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
