4PM0
PDE7A catalytic domain in complex with 2-(Cyclopentylamino)thieno[3,2-d]pyrimidin-4(3H)-one derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-09-30 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.9 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 116.187, 116.187, 64.458 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.750 - 2.100 |
| R-factor | 0.17443 |
| Rwork | 0.172 |
| R-free | 0.21763 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zkl |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.757 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 29.750 |
| High resolution limit [Å] | 2.100 |
| Number of reflections | 29559 |
| <I/σ(I)> | 35.7 |
| Completeness [%] | 94.3 |
| Redundancy | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.6 - 0.8M (NH4)2SO4, 3mM mercaptoethanol, 10mM MgCl2, 10mM EDTA, 0.1M Tris HCl, pH 7.5, |
