2QYL
Crystal structure of PDE4B2B in complex with inhibitor NPV
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 277 |
| Detector technology | CCD |
| Collection date | 2007-01-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 91.758, 105.353, 87.827 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.950 |
| Rwork | 0.213 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDE4B |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.070 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.064 | 0.320 |
| Number of reflections | 28299 | |
| <I/σ(I)> | 13.7 | 5 |
| Completeness [%] | 89.8 | 61.6 |
| Redundancy | 13.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 12% PEG3350, 0.1M Tris HCl pH 8.5, 35% ethylene glycol, 200 mM MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
