5WHC
USP7 in complex with Cpd2 (4-(3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl)phenol)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-01-25 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 76.292, 69.279, 77.070 |
Unit cell angles | 90.00, 95.00, 90.00 |
Refinement procedure
Resolution | 76.776 - 2.548 |
R-factor | 0.2113 |
Rwork | 0.209 |
R-free | 0.26030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nb8 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.534 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_2747)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 76.776 | 76.776 | 2.557 |
High resolution limit [Å] | 2.548 | 11.813 | 2.548 |
Rmeas | 0.045 | 0.030 | 0.723 |
Rpim | 0.024 | 0.017 | 0.384 |
Number of reflections | 25643 | ||
<I/σ(I)> | 20 | ||
Completeness [%] | 97.2 | 100 | 96.5 |
Redundancy | 3.3 | 3.2 | 3.4 |
CC(1/2) | 0.997 | 0.988 | 0.838 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | PEG 1000, 0.1M Tris-HCl 7.0 |