5C1W
PDE10 complexed with 4,6-dichloro-2-cyclopropyl-5-methyl-pyrimidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.430, 81.850, 153.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.060 - 1.700 |
| R-factor | 0.204 |
| Rwork | 0.203 |
| R-free | 0.22920 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
| High resolution limit [Å] | 1.700 | 4.520 | 2.100 |
| Rmerge | 0.054 | 0.024 | 0.532 |
| Total number of observations | 189625 | ||
| Number of reflections | 69305 | ||
| <I/σ(I)> | 14.9 | ||
| Completeness [%] | 87.9 | 96.3 | 82.6 |
| Redundancy | 5.6 | 5.7 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 100mM HEPES, 20% PEG3350, 200mM MgCl2, and 10mM 2-Mercaptoethanol |
