5N9T
Crystal structure of USP7 in complex with a potent, selective and reversible small-molecule inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2015-02-18 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.965 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.507, 67.623, 81.046 |
| Unit cell angles | 90.00, 105.90, 90.00 |
Refinement procedure
| Resolution | 29.920 - 1.730 |
| R-factor | 0.164 |
| Rwork | 0.161 |
| R-free | 0.22400 |
| Starting model (for MR) | 5n9r |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.475 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.920 | 1.820 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmeas | 0.080 | 0.650 |
| Number of reflections | 77752 | |
| <I/σ(I)> | 5.7 | 1.2 |
| Completeness [%] | 94.9 | |
| Redundancy | 2.2 | 2.2 |
| CC(1/2) | 0.949 | 0.951 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | PEG 4000, Li2 Sulfate, Tris |
