5EDG
human PDE10A in complex with 3-(2-Chloro-5-phenyl-3H-imidazol-4-yl)-1-(3-trifluoromethoxy-phenyl)-1H-pyridazin-4-one at 2.30A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-03 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.007500 |
Spacegroup name | H 3 |
Unit cell lengths | 135.148, 135.148, 235.062 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.470 - 2.300 |
R-factor | 0.2148 |
Rwork | 0.212 |
R-free | 0.26140 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.470 | 2.360 | |
High resolution limit [Å] | 2.300 | 10.290 | 2.300 |
Rmerge | 0.078 | 0.021 | 1.122 |
Rmeas | 0.090 | 0.024 | 1.309 |
Total number of observations | 276413 | ||
Number of reflections | 70979 | 771 | 5209 |
<I/σ(I)> | 13.06 | 52.68 | 1.28 |
Completeness [%] | 99.9 | 96.6 | 99.8 |
Redundancy | 3.89 | ||
CC(1/2) | 0.998 | 0.999 | 0.344 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.1 M HEPES/NaOH pH 7.5, 30% PEG550MME, 50mM MgCl2 |