8D4Z
Crystal structure of USP7 in complex with allosteric inhibitor FX1-3763
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-05 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.235, 65.506, 85.086 |
Unit cell angles | 90.00, 94.70, 90.00 |
Refinement procedure
Resolution | 56.300 - 2.260 |
Rwork | 0.203 |
R-free | 0.26000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5n9r |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | REFMAC |
Refinement software | PRIME-X |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 70.000 | 70.000 | 2.330 |
High resolution limit [Å] | 2.260 | 9.040 | 2.260 |
Rmerge | 0.043 | 0.032 | 0.457 |
Rmeas | 0.051 | 0.039 | 0.552 |
Rpim | 0.026 | 0.021 | 0.303 |
Total number of observations | 127599 | 2036 | 9756 |
Number of reflections | 36172 | 615 | 3202 |
<I/σ(I)> | 12.6 | 30.2 | 2 |
Completeness [%] | 99.6 | 99.7 | 96.6 |
Redundancy | 3.5 | 3.3 | 3 |
CC(1/2) | 0.998 | 0.996 | 0.878 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.10 M Bis-Tris-Propane pH 8.50, 0.10 M K-formate, 26.0 % (w/v) PEG 3350 |