4G2W
Crystal structure of PDE5A in complex with its inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 74.280, 74.280, 131.980 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.060 - 2.280 |
| R-factor | 0.1896 |
| Rwork | 0.189 |
| R-free | 0.22540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3shz |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.063 | 2.340 | |
| High resolution limit [Å] | 2.280 | 10.200 | 2.280 |
| Rmerge | 0.053 | 0.020 | 0.451 |
| Rmeas | 0.024 | 0.526 | |
| Number of reflections | 37132 | 413 | 2744 |
| <I/σ(I)> | 18.23 | 53.62 | 3.2 |
| Completeness [%] | 99.9 | 97.9 | 99.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.2M MgSO4, 100mM Tris HCl, 20% PEG 3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
