5N9R
Crystal structure of USP7 in complex with a potent, selective and reversible small-molecule inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-01-24 |
| Detector | MAR |
| Wavelength(s) | 1.54179 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.940, 66.940, 81.090 |
| Unit cell angles | 90.00, 105.09, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.230 |
| R-factor | 0.151 |
| Rwork | 0.148 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nb8 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.378 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.290 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Rmeas | 0.060 | 0.310 |
| Number of reflections | 36846 | |
| <I/σ(I)> | 16.4 | 4.5 |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | PEG 4000, Tris, Li2-Sulfate. |
