5NGF
Crystal structure of USP7 in complex with the covalent inhibitor, FT827
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-04-25 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.979490 |
| Spacegroup name | P 1 |
| Unit cell lengths | 62.810, 63.310, 65.660 |
| Unit cell angles | 105.05, 107.88, 113.03 |
Refinement procedure
| Resolution | 50.000 - 2.330 |
| R-factor | 0.19081 |
| Rwork | 0.188 |
| R-free | 0.24690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nb8 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.566 |
| 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] | 52.500 | 2.390 |
| High resolution limit [Å] | 2.330 | 2.330 |
| Rmerge | 0.041 | 0.588 |
| Number of reflections | 33087 | |
| <I/σ(I)> | 10.9 | |
| Completeness [%] | 97.0 | 96.4 |
| Redundancy | 2.7 | 2.8 |
| CC(1/2) | 0.811 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20 % (w/v) PEG3350, 100 mM Bis-Tris propane pH 7.5, 0.2 M sodium formate |
