6IMO
Crystal structure of PDE4D complexed with a novel inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.547, 80.477, 163.861 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.273 - 1.550 |
R-factor | 0.2066 |
Rwork | 0.206 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tb7 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.743 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.273 | 1.567 |
High resolution limit [Å] | 1.550 | 1.550 |
Number of reflections | 113005 | |
<I/σ(I)> | 7.4 | |
Completeness [%] | 97.4 | |
Redundancy | 12.8 | |
CC(1/2) | 0.820 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 0.1 M HEPES, 0.2 M MgCl2, 10% Isoprpanol, 30% EG, 18% PEG 3350 |