7SHH
Bacterial cereblon homologue in complex with (R)-3-(4-methoxyphenyl)piperidine-2,6-dione
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-08 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.311, 59.586, 87.706 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.287 - 1.900 |
| R-factor | 0.1927 |
| Rwork | 0.192 |
| R-free | 0.21610 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.807 |
| Data reduction software | XDS |
| Data scaling software | SCALA (0.7.4) |
| Phasing software | PHENIX (1.12_2829) |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 56.310 | 56.310 | 1.940 |
| High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
| Rmerge | 0.083 | 0.047 | 1.104 |
| Rmeas | 0.086 | 0.049 | 1.145 |
| Rpim | 0.024 | 0.014 | 0.302 |
| Total number of observations | 311502 | 2772 | 20760 |
| Number of reflections | 23597 | 266 | 1476 |
| <I/σ(I)> | 16.2 | 41.9 | 2.6 |
| Completeness [%] | 98.9 | 99.3 | 98.3 |
| Redundancy | 13.2 | 10.4 | 14.1 |
| CC(1/2) | 0.999 | 0.999 | 0.843 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | 0. 1M sodium acetate and 16% PEG 6000 |
