5SKS
Crystal Structure of human phosphodiesterase 10 in complex with ethyl 1-[3-[3-(4-ethoxycarbonyl-5-methyl-imidazol-1-yl)phenoxy]phenyl]-5-methyl-imidazole-4-carboxylate
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 | 2008-02-25 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.000000 |
Spacegroup name | H 3 |
Unit cell lengths | 134.920, 134.920, 235.240 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.640 - 2.310 |
R-factor | 0.1577 |
Rwork | 0.155 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.013 |
RMSD bond angle | 1.856 |
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] | 43.640 | 43.640 | 2.370 |
High resolution limit [Å] | 2.310 | 10.330 | 2.310 |
Rmerge | 0.051 | 0.026 | 0.326 |
Rmeas | 0.059 | 0.031 | 0.391 |
Total number of observations | 261678 | ||
Number of reflections | 69674 | 698 | 5014 |
<I/σ(I)> | 15.66 | 32.95 | 3.99 |
Completeness [%] | 99.5 | 89 | 96.6 |
Redundancy | 3.756 | 3.686 | 3.259 |
CC(1/2) | 0.998 | 0.999 | 0.891 |
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 |