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 |