6EZF
PDE2 in complex with molecule 5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.239, 65.315, 104.391 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.370 - 1.500 |
| R-factor | 0.15212 |
| Rwork | 0.151 |
| R-free | 0.19804 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.128 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.370 | 1.600 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.047 | 0.634 |
| Number of reflections | 60146 | |
| <I/σ(I)> | 21 | 2.98 |
| Completeness [%] | 98.8 | 93.7 |
| Redundancy | 7 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.25 | 298 | 25 % PEG4000 0.10 M Tris 8.25 0.20 M LiSO4 |
