5NGE
Crystal structure of USP7 in complex with the non-covalent inhibitor, FT671
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-06 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.280, 70.300, 78.560 |
| Unit cell angles | 90.00, 97.17, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.350 |
| R-factor | 0.21734 |
| Rwork | 0.214 |
| R-free | 0.27214 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nb8 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.574 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.950 | 2.390 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.052 | 0.719 |
| Number of reflections | 31221 | |
| <I/σ(I)> | 14.9 | |
| Completeness [%] | 96.6 | 97.3 |
| Redundancy | 3.3 | 3.4 |
| CC(1/2) | 0.588 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 25% (w/v) polyethylene glycol (PEG) 1500, 100 mM MMT pH 8.0 |
