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 |