9FQI
E3 ligase Cbl-b in complex with a lactam scaffold inhibitor (compound 7)
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-08-09 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.558, 74.127, 97.326 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.970 - 1.954 |
R-factor | 0.2385 |
Rwork | 0.236 |
R-free | 0.29120 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.900 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | AMoRE |
Refinement software | BUSTER (2.11.8 (24-FEB-2021)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.971 | 1.988 |
High resolution limit [Å] | 1.954 | 1.954 |
Rmerge | 0.069 | 0.537 |
Rmeas | 0.075 | 0.584 |
Rpim | 0.029 | 0.226 |
Total number of observations | 196901 | 9976 |
Number of reflections | 30868 | 1514 |
<I/σ(I)> | 11.3 | 2.1 |
Completeness [%] | 100.0 | |
Redundancy | 6.4 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 11 % PEG8000, 0.05 M Mg Acetate, 5 % MPD, 0.05 M PCPT pH 8.0 |