5X73
The crystal Structure PDE delta in complex with R-p9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | AREA DETECTOR |
| Collection date | 2016-01-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97941 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 55.550, 55.550, 115.340 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.110 - 2.500 |
| R-factor | 0.19829 |
| Rwork | 0.195 |
| R-free | 0.24528 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jv6 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.715 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.072 | 0.350 |
| Rpim | 0.028 | 0.130 |
| Number of reflections | 7571 | 379 |
| <I/σ(I)> | 23.75 | 7.81 |
| Completeness [%] | 99.4 | 99.7 |
| Redundancy | 8.2 | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 8% v/v Tacsimate, 20% w/v Polyethylene glycol 3350 |
