5SG7
Crystal Structure of human phosphodiesterase 10 in complex with 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
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 | 2007-05-16 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0 |
Spacegroup name | H 3 |
Unit cell lengths | 136.348, 136.348, 236.151 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.740 - 2.300 |
R-factor | 0.1753 |
Rwork | 0.172 |
R-free | 0.22980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.008 |
RMSD bond angle | 1.500 |
Data reduction software | DENZO |
Data scaling software | SADABS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.750 | 2.400 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.086 | 0.395 |
Number of reflections | 69608 | |
<I/σ(I)> | 7.15 | 1.47 |
Completeness [%] | 95.7 | 80 |
Redundancy | 2.21 | 1.26 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 5-20 mg/mL protein in 25mM HEPES/NaOH pH7.5, 150mM NaCl, 50mM BME mixed 1:1 with reservoir 0.1M HEPES/NaOH pH7.5, 30% PEG550MME, 50mM MgCl2 |