8P14
USP28 USP domain in complex with Vismodegib
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-09-24 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.873 |
Spacegroup name | H 3 2 |
Unit cell lengths | 106.634, 106.634, 329.857 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.460 - 2.570 |
R-factor | 0.1939 |
Rwork | 0.193 |
R-free | 0.21810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6h4i |
RMSD bond length | 0.005 |
RMSD bond angle | 0.811 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.970 | 2.680 |
High resolution limit [Å] | 2.570 | 2.570 |
Number of reflections | 44538 | 2825 |
<I/σ(I)> | 13.5 | |
Completeness [%] | 99.9 | |
Redundancy | 19.1 | |
CC(1/2) | 0.999 | 0.402 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.05 M NaCl 0.1 M Li2SO4 0.1 M MES pH 6.4 14% PEG4000 |