4MSN
Crystal structure of PDE10A2 with fragment ZT0451 (8-nitroquinoline)
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 | 2011-03-09 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.859, 82.158, 156.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.730 - 2.300 |
| R-factor | 0.23365 |
| Rwork | 0.231 |
| R-free | 0.28713 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2our |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.086 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.730 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.120 | 0.479 |
| Number of reflections | 28032 | |
| <I/σ(I)> | 8.8 | 2.5 |
| Completeness [%] | 95.8 | 94.2 |
| Redundancy | 4.1 | 4.5 |
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 |
