8W4S
Crystal structure of PDE5A in complex with CVT-313
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 74.335, 74.335, 131.822 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.054 - 1.848 |
| R-factor | 0.2104 |
| Rwork | 0.209 |
| R-free | 0.24460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.220 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.17.1_3660)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.880 |
| High resolution limit [Å] | 1.848 | 5.020 | 1.850 |
| Rmerge | 0.050 | 5.027 | |
| Rmeas | 0.052 | 5.271 | |
| Rpim | 0.012 | 1.556 | |
| Number of reflections | 36859 | 2018 | 1817 |
| <I/σ(I)> | 5.3 | ||
| Completeness [%] | 100.0 | 100 | 99.8 |
| Redundancy | 18.1 | 17.4 | 11.2 |
| CC(1/2) | 1.000 | 0.999 | 0.329 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M Tris-HCl, 0.2 M MgSO4, 20% PEG 3350 |
