2WEY
Human PDE-papaverine complex obtained by ligand soaking of cross- linked protein crystals
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-08-07 |
| Detector | RIGAKU IMAGE PLATE |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.840, 81.570, 157.550 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.700 - 2.800 |
| R-factor | 0.242 |
| Rwork | 0.239 |
| R-free | 0.30000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oup |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.049 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.700 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.136 | 0.690 |
| Number of reflections | 15959 | |
| <I/σ(I)> | 13.3 | 2.2 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 6.5 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.25 | 16% PEG3350, 60 MM BETA-MERCAPTOETHANOL,0.1 M HEPES PH 7.25,0.2 M MGCL2 |
