5TZA
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A WITH 3-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl-1-[(naphthalene-2-yl)carbonyl]piperidine
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 | 55.799, 73.444, 91.614 |
Unit cell angles | 109.36, 91.17, 91.14 |
Refinement procedure
Resolution | 55.765 - 1.700 |
R-factor | 0.1662 |
Rwork | 0.165 |
R-free | 0.19650 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.084 |
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] | 55.770 | 1.420 |
High resolution limit [Å] | 1.380 | 1.380 |
Rmerge | 0.044 | 1.056 |
Number of reflections | 142086 | |
<I/σ(I)> | 10.8 | |
Completeness [%] | 61.6 | 3 |
Redundancy | 2.6 | 2.1 |
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 |