5SGF
Crystal Structure of human phosphodiesterase 10 in complex with ethyl 1-methyl-5-(propylcarbamoyl)pyrazole-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 | 2009-04-14 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.000000 |
Spacegroup name | H 3 |
Unit cell lengths | 135.027, 135.027, 234.883 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.340 - 2.300 |
R-factor | 0.2022 |
Rwork | 0.199 |
R-free | 0.25670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.009 |
RMSD bond angle | 1.638 |
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] | 35.310 | 35.340 | 2.360 |
High resolution limit [Å] | 2.300 | 10.290 | 2.300 |
Rmerge | 0.074 | 0.020 | 1.256 |
Rmeas | 0.086 | 0.024 | 1.463 |
Total number of observations | 272333 | ||
Number of reflections | 70632 | 739 | 5200 |
<I/σ(I)> | 13.54 | 54.29 | 1.12 |
Completeness [%] | 99.6 | 92.6 | 99.7 |
Redundancy | 3.856 | 3.605 | 3.865 |
CC(1/2) | 0.999 | 0.999 | 0.396 |
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 |