5B25
Crystal structure of human PDE1B with inhibitor 3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-09-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.976486 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 102.875, 102.875, 294.848 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.900 |
R-factor | 0.1732 |
Rwork | 0.172 |
R-free | 0.20280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1taz |
RMSD bond length | 0.010 |
RMSD bond angle | 1.360 |
Data reduction software | PDB_EXTRACT (3.15) |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
Rmerge | 0.102 | 0.030 | 0.948 |
Total number of observations | 723862 | ||
Number of reflections | 125166 | ||
<I/σ(I)> | 7.9 | ||
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 5.8 | 5.5 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 1.75 M ammonium sulfate, 0.1 M Tris-HCl |