5SJ5
Crystal Structure of human phosphodiesterase 10 in complex with 6-chloroquinoxalin-2-amine
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 | 2010-11-20 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | H 3 |
Unit cell lengths | 134.909, 134.909, 234.940 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.400 - 2.490 |
R-factor | 0.1721 |
Rwork | 0.169 |
R-free | 0.23850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.014 |
RMSD bond angle | 2.010 |
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] | 43.400 | 43.400 | 2.550 |
High resolution limit [Å] | 2.490 | 11.140 | 2.490 |
Rmerge | 0.116 | 0.043 | 1.104 |
Rmeas | 0.129 | 0.048 | 1.253 |
Total number of observations | 288693 | ||
Number of reflections | 55794 | 617 | 4116 |
<I/σ(I)> | 10.03 | 33.25 | 1.27 |
Completeness [%] | 99.9 | 98.6 | 99.8 |
Redundancy | 5.174 | 4.88 | 4.457 |
CC(1/2) | 0.997 | 0.998 | 0.439 |
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 |