5TZ3
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX with [1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-N-(naphthalene-2-yl)piperidine-3-carboxamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-08-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97741 |
Spacegroup name | P 1 |
Unit cell lengths | 55.754, 72.727, 90.517 |
Unit cell angles | 109.21, 90.70, 91.19 |
Refinement procedure
Resolution | 68.653 - 1.720 |
R-factor | 0.1927 |
Rwork | 0.191 |
R-free | 0.23270 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.997 |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.5) |
Refinement software | PHENIX (phenix.refine: 1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.653 | 1.680 |
High resolution limit [Å] | 1.640 | 1.640 |
Rmerge | 0.046 | 0.593 |
Number of reflections | 135819 | |
<I/σ(I)> | 10.1 | |
Completeness [%] | 89.9 | 50.3 |
Redundancy | 1.9 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 293 | 17-19% PEG3350, 0.2M MgCl2, 0.1M Tris, pH 8.4 |