5SJT
Crystal Structure of human phosphodiesterase 10 in complex with 4-N,4-N,2-trimethyl-3-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-3,4-dicarboxamide
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 | 2008-10-03 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.000000 |
Spacegroup name | H 3 |
Unit cell lengths | 134.640, 134.640, 235.000 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.870 - 2.100 |
R-factor | 0.1611 |
Rwork | 0.160 |
R-free | 0.17870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.013 |
RMSD bond angle | 1.593 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.870 | 38.870 | 2.150 |
High resolution limit [Å] | 2.100 | 9.390 | 2.100 |
Rmerge | 0.119 | 0.052 | 1.020 |
Rmeas | 0.139 | 0.061 | 1.209 |
Total number of observations | 340339 | ||
Number of reflections | 91780 | 1014 | 6755 |
<I/σ(I)> | 7.11 | 18.61 | 1.18 |
Completeness [%] | 99.0 | 97 | 98.4 |
Redundancy | 3.708 | 3.777 | 3.416 |
CC(1/2) | 0.992 | 0.992 | 0.322 |
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 |