5SGQ
Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxylic acid
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 | 2010-07-18 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | H 3 |
Unit cell lengths | 135.496, 135.496, 235.736 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.590 - 2.040 |
R-factor | 0.1795 |
Rwork | 0.177 |
R-free | 0.22440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.015 |
RMSD bond angle | 2.024 |
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] | 43.590 | 43.590 | 2.090 |
High resolution limit [Å] | 2.040 | 9.120 | 2.040 |
Rmerge | 0.091 | 0.025 | 1.496 |
Rmeas | 0.102 | 0.028 | 1.677 |
Total number of observations | 536177 | ||
Number of reflections | 102765 | 1142 | 7670 |
<I/σ(I)> | 13 | 50 | 1.25 |
Completeness [%] | 100.0 | 99 | 100 |
Redundancy | 5.218 | 5.196 | 4.922 |
CC(1/2) | 0.999 | 0.999 | 0.400 |
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 |