5UQX
USP7 in complex with GNE6776 (6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl-[3,3'-bipyridine]-6-carboxamide)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-16 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 76.355, 67.533, 76.861 |
Unit cell angles | 90.00, 96.99, 90.00 |
Refinement procedure
Resolution | 38.145 - 2.230 |
R-factor | 0.1897 |
Rwork | 0.188 |
R-free | 0.22340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nb8 |
RMSD bond length | 0.009 |
RMSD bond angle | 0.996 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.145 | 76.305 | 2.242 |
High resolution limit [Å] | 2.230 | 10.362 | 2.234 |
Rmeas | 0.211 | 0.072 | 1.111 |
Rpim | 0.113 | 0.039 | 0.581 |
Number of reflections | 37714 | ||
<I/σ(I)> | 9.1 | ||
Completeness [%] | 96.8 | 94.1 | 96 |
Redundancy | 3.8 | 3.6 | 4 |
CC(1/2) | 0.595 | 0.985 | 0.016 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | PEG 1000, 0.1M Tris-HCl 7.0 |