4AEL
PDE10A in complex with the inhibitor AZ5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-26 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.966, 81.688, 160.469 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.200 |
| R-factor | 0.18955 |
| Rwork | 0.187 |
| R-free | 0.24169 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oup |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.671 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.060 | 0.360 |
| Number of reflections | 30061 | |
| <I/σ(I)> | 13.4 | 4.1 |
| Completeness [%] | 88.4 | 83 |
| Redundancy | 4.5 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 20 MM TRIS PH 7.5, 100 MM NACL AND 10 MM BETA MERCAPTOETHANOL |
