5UQV
USP7 in complex with GNE6640 (4-(2-amino-4-ethyl-5-(1H-indazol-5-yl)pyridin-3-yl)phenol)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-12-12 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 75.788, 68.435, 76.739 |
Unit cell angles | 90.00, 95.45, 90.00 |
Refinement procedure
Resolution | 43.540 - 2.840 |
R-factor | 0.242 |
Rwork | 0.239 |
R-free | 0.29300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nb8 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.010 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | BUSTER |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.540 | 75.445 | 2.853 |
High resolution limit [Å] | 2.800 | 13.176 | 2.844 |
Rmerge | 0.052 | 0.020 | 0.491 |
Rmeas | 0.061 | 0.024 | 0.572 |
Rpim | 0.032 | 0.013 | 0.292 |
Number of reflections | 17893 | ||
<I/σ(I)> | 15.7 | ||
Completeness [%] | 96.3 | 92.3 | 98.5 |
Redundancy | 3.6 | 3.3 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | PEG 1000, 0.1M Tris-HCl 7.0 |