5SGJ
Crystal Structure of human phosphodiesterase 10 in complex with 6-[(3,6-dimethylpyridine-2-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-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 | PIXEL |
Collection date | 2010-02-13 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | H 3 |
Unit cell lengths | 135.562, 135.562, 235.734 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.750 - 2.660 |
R-factor | 0.1855 |
Rwork | 0.182 |
R-free | 0.26000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.011 |
RMSD bond angle | 1.862 |
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] | 43.750 | 43.750 | 2.730 |
High resolution limit [Å] | 2.660 | 11.900 | 2.660 |
Rmerge | 0.143 | 0.041 | 1.076 |
Rmeas | 0.170 | 0.048 | 1.280 |
Total number of observations | 161172 | ||
Number of reflections | 45964 | 509 | 3381 |
<I/σ(I)> | 7.77 | 26.11 | 1.35 |
Completeness [%] | 99.1 | 96.6 | 99.1 |
Redundancy | 3.506 | 3.627 | 3.534 |
CC(1/2) | 0.988 | 0.996 | 0.341 |
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 |