8W4R
Crystal structure of PDE4D complexed with CVT-313
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-18 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9791 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.630, 80.710, 163.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.334 - 1.370 |
R-factor | 0.207 |
Rwork | 0.206 |
R-free | 0.21540 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.708 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.334 | 1.419 |
High resolution limit [Å] | 1.370 | 1.370 |
Number of reflections | 162983 | 16122 |
<I/σ(I)> | 23.06 | |
Completeness [%] | 99.8 | |
Redundancy | 13.1 | 13.6 |
CC(1/2) | 0.998 | 0.756 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 0.1 M HEPES, 0.2 M MgCl2, 10 % (v/v) Isopropanol, 30 % (v/v) Ethylene glycol, 18 % (w/v) PEG 3350 |