4LLJ
Crystal structure of PDE10A2 with fragment ZT214
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-07-16 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.755, 82.057, 155.536 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.590 - 1.560 |
| R-factor | 0.21041 |
| Rwork | 0.209 |
| R-free | 0.24124 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2our |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.436 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.620 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.059 | 0.566 |
| Number of reflections | 94258 | |
| <I/σ(I)> | 26.2 | 2.6 |
| Completeness [%] | 97.6 | 82.3 |
| Redundancy | 5.8 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 18% PEG 4450, 0.2M calcium acetate, 50mM BME, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
