9FIV
Structure-guided discovery of selective USP7 inhibitors with in vivo activity
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER X8 PROTEUM |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-10-17 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.615, 67.830, 78.636 |
| Unit cell angles | 90.00, 91.26, 90.00 |
Refinement procedure
| Resolution | 21.647 - 2.700 |
| Rwork | 0.269 |
| R-free | 0.33040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.712 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.650 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.152 | 0.699 |
| Number of reflections | 21676 | 2235 |
| <I/σ(I)> | 10.07 | 1.89 |
| Completeness [%] | 99.4 | |
| Redundancy | 9.48 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 23% peg 3350, 0.6 M sodium formate, 10 mM DTT |
