8OEG
PDE4B bound to MAPI compound 92a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 95.760, 95.760, 85.460 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 83.070 - 1.890 |
| R-factor | 0.1595 |
| Rwork | 0.158 |
| R-free | 0.19509 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.476 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.460 | 1.940 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Number of reflections | 36474 | 2523 |
| <I/σ(I)> | 13.8 | |
| Completeness [%] | 99.5 | |
| Redundancy | 8.4 | |
| CC(1/2) | 0.997 | 0.497 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 50 mM CALCIUM ACETATE, 20% PEG 400, 100 mM SODIUM ACETATE |
