5SKB
Crystal Structure of human phosphodiesterase 10 in complex with 9-methoxy-3,5-dihydropyrimido[5,4-b]indol-4-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 | CCD |
Collection date | 2009-09-09 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.000000 |
Spacegroup name | H 3 |
Unit cell lengths | 135.431, 135.431, 234.211 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.370 - 2.350 |
R-factor | 0.191 |
Rwork | 0.188 |
R-free | 0.24880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.008 |
RMSD bond angle | 1.521 |
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] | 35.340 | 35.370 | 2.410 |
High resolution limit [Å] | 2.350 | 10.510 | 2.350 |
Rmerge | 0.060 | 0.023 | 0.746 |
Rmeas | 0.074 | 0.029 | 0.915 |
Total number of observations | 183052 | ||
Number of reflections | 63828 | 611 | 4843 |
<I/σ(I)> | 12.29 | 37.21 | 1.55 |
Completeness [%] | 95.7 | 81.5 | 99.5 |
Redundancy | 2.868 | 2.645 | 2.899 |
CC(1/2) | 0.998 | 0.998 | 0.609 |
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 |