5E80
The crystal structure of PDEd in complex with inhibitor-2a
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 | 2012-09-20 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 1 |
| Unit cell lengths | 31.760, 40.900, 68.800 |
| Unit cell angles | 97.70, 102.38, 89.31 |
Refinement procedure
| Resolution | 26.060 - 2.600 |
| R-factor | 0.1884 |
| Rwork | 0.185 |
| R-free | 0.24730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3t5g |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.474 |
| Data reduction software | XDS |
| Data scaling software | XSCALE (5.7.0032) |
| Phasing software | MOLREP (3.15) |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.060 | 2.700 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 9570 | |
| <I/σ(I)> | 9.54 | 3.26 |
| Completeness [%] | 97.7 | 96.7 |
| Redundancy | 3.45 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M Calcium acetate, 20% (w/v) PEG 3350 |
