2QYM
crystal structure of unliganded PDE4C2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.1 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 74.738, 74.738, 275.910 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.900 |
Rwork | 0.208 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDE4D |
RMSD bond length | 0.005 |
RMSD bond angle | 1.060 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.095 | 0.630 |
Number of reflections | 36952 | |
<I/σ(I)> | 8.7 | |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 36.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 10% PEG3350, 100 mM MgCl2, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |