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 |