5SHK
Crystal Structure of human phosphodiesterase 10 in complex with N-(6-methylpyridin-2-yl)-5-pyridin-3-yl-1,7-naphthyridin-8-amine
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 | 2009-04-14 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.000000 |
Spacegroup name | H 3 |
Unit cell lengths | 134.736, 134.736, 235.207 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.840 - 2.000 |
R-factor | 0.1901 |
Rwork | 0.189 |
R-free | 0.21810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.006 |
RMSD bond angle | 1.305 |
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] | 34.840 | 34.840 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.067 | 0.024 | 1.070 |
Rmeas | 0.078 | 0.029 | 1.253 |
Total number of observations | 409868 | ||
Number of reflections | 107256 | 1097 | 7987 |
<I/σ(I)> | 12.58 | 42.06 | 1.25 |
Completeness [%] | 99.7 | 90.7 | 99.8 |
Redundancy | 3.821 | 3.521 | 3.709 |
CC(1/2) | 0.998 | 0.998 | 0.432 |
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 |