5SHW
Crystal Structure of human phosphodiesterase 10 in complex with (2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methanol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2010-10-16 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.999900 |
Spacegroup name | H 3 |
Unit cell lengths | 134.933, 134.933, 235.560 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.690 - 2.190 |
R-factor | 0.1807 |
Rwork | 0.178 |
R-free | 0.22440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.007 |
RMSD bond angle | 1.394 |
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] | 43.690 | 43.690 | 2.250 |
High resolution limit [Å] | 2.190 | 9.790 | 2.190 |
Rmerge | 0.092 | 0.031 | 1.211 |
Rmeas | 0.102 | 0.034 | 1.342 |
Total number of observations | 429040 | ||
Number of reflections | 82261 | 909 | 6135 |
<I/σ(I)> | 11.21 | 37.37 | 1.38 |
Completeness [%] | 99.9 | 98.4 | 100 |
Redundancy | 5.216 | 4.877 | 5.334 |
CC(1/2) | 0.998 | 0.999 | 0.506 |
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 |