5SEO
Crystal Structure of human phosphodiesterase 10 in complex with 2-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethyl]isoindole-1,3-dione
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 | 2010-10-04 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | H 3 |
Unit cell lengths | 135.277, 135.277, 235.581 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.520 - 2.100 |
R-factor | 0.1852 |
Rwork | 0.183 |
R-free | 0.22830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.010 |
RMSD bond angle | 1.620 |
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] | 43.520 | 43.520 | 2.150 |
High resolution limit [Å] | 2.100 | 9.390 | 2.100 |
Rmerge | 0.087 | 0.039 | 1.264 |
Rmeas | 0.097 | 0.043 | 1.406 |
Total number of observations | 479700 | ||
Number of reflections | 93790 | 1036 | 6936 |
<I/σ(I)> | 11.12 | 33.8 | 1.27 |
Completeness [%] | 99.9 | 98.3 | 100 |
Redundancy | 5.115 | 4.803 | 5.218 |
CC(1/2) | 0.998 | 0.997 | 0.448 |
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 |