5SIE
Crystal Structure of human phosphodiesterase 10 in complex with 5-chloro-8-hydroxy-2-methyl-1,4-dihydropyrrolo[3,4-b]indol-3-one
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 | 2010-04-23 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | H 3 |
Unit cell lengths | 135.080, 135.080, 235.206 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.640 - 2.120 |
R-factor | 0.1873 |
Rwork | 0.185 |
R-free | 0.22040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.006 |
RMSD bond angle | 1.362 |
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 | 2.180 |
High resolution limit [Å] | 2.120 | 9.480 | 2.120 |
Rmerge | 0.074 | 0.028 | 1.134 |
Rmeas | 0.081 | 0.031 | 1.246 |
Total number of observations | 524529 | ||
Number of reflections | 90677 | 1017 | 6717 |
<I/σ(I)> | 15.39 | 54.58 | 1.61 |
Completeness [%] | 99.9 | 98.9 | 99.9 |
Redundancy | 5.785 | 5.384 | 5.79 |
CC(1/2) | 0.999 | 0.999 | 0.561 |
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 |