8SYC
Crystal structure of PDE3B in complex with GSK4394835A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-09-10 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9655 |
| Spacegroup name | P 41 |
| Unit cell lengths | 78.586, 78.586, 166.339 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.160 - 2.700 |
| R-factor | 0.17888 |
| Rwork | 0.177 |
| R-free | 0.22352 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.336 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.160 | 3.022 |
| High resolution limit [Å] | 2.680 | 2.680 |
| Rmerge | 0.340 | 1.648 |
| Number of reflections | 18157 | 907 |
| <I/σ(I)> | 6.8 | |
| Completeness [%] | 92.7 | 66.6 |
| Redundancy | 4.8 | 8.6 |
| CC(1/2) | 0.986 | 0.511 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.2 M NaCl, 25%PEG3350,0.1 M bis-Tris pH6.5, cryo: 25% ethylene glycol |
