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 |