5SE2
Crystal Structure of human phosphodiesterase 10 in complex with 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline
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 | 2010-09-17 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.999900 |
Spacegroup name | H 3 |
Unit cell lengths | 135.003, 135.003, 235.705 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.720 - 2.200 |
R-factor | 0.1954 |
Rwork | 0.194 |
R-free | 0.22110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.005 |
RMSD bond angle | 1.270 |
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] | 43.720 | 43.720 | 2.260 |
High resolution limit [Å] | 2.200 | 9.840 | 2.200 |
Rmerge | 0.127 | 0.055 | 1.478 |
Rmeas | 0.141 | 0.062 | 1.644 |
Total number of observations | 418752 | ||
Number of reflections | 81296 | 905 | 6038 |
<I/σ(I)> | 8.12 | 22.5 | 1.09 |
Completeness [%] | 100.0 | 98.8 | 100 |
Redundancy | 5.151 | 4.99 | 5.233 |
CC(1/2) | 0.995 | 0.995 | 0.312 |
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 |