5YAW
Fragment-based Drug Discovery of inhibitors to block PDEdelta-RAS protein-protein interaction
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97923 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 56.148, 56.148, 116.161 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.854 - 2.027 |
R-factor | 0.2181 |
Rwork | 0.216 |
R-free | 0.25230 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.017 |
Data scaling software | XDS |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 44.854 |
High resolution limit [Å] | 2.027 |
Number of reflections | 14318 |
<I/σ(I)> | 1.34 |
Completeness [%] | 99.8 |
Redundancy | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 100Mm Sodium acetate pH 4.6, 2.0M NaCl |