5SKO
Crystal Structure of human phosphodiesterase 10 in complex with N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-methyl-3-(pyrimidin-5-ylamino)pyrazole-4-carboxamide
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 | 2009-04-28 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.000000 |
Spacegroup name | I 2 3 |
Unit cell lengths | 142.289, 142.289, 142.289 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.000 - 2.100 |
R-factor | 0.1954 |
Rwork | 0.194 |
R-free | 0.23090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.006 |
RMSD bond angle | 1.317 |
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] | 45.000 | 45.000 | 2.150 |
High resolution limit [Å] | 2.100 | 9.390 | 2.100 |
Rmerge | 0.095 | 0.023 | 1.553 |
Rmeas | 0.099 | 0.025 | 1.644 |
Total number of observations | 293833 | ||
Number of reflections | 27870 | 331 | 2075 |
<I/σ(I)> | 17.84 | 63.51 | 1.58 |
Completeness [%] | 99.2 | 95.4 | 99.7 |
Redundancy | 10.543 | 9.695 | 9.353 |
CC(1/2) | 0.999 | 1.000 | 0.580 |
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 |