3N3K
The catalytic domain of USP8 in complex with a USP8 specific inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-05-13 |
Detector | MARMOSAIC 300 mm CCD |
Spacegroup name | P 61 |
Unit cell lengths | 69.983, 69.983, 181.549 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.990 - 2.600 |
R-factor | 0.18083 |
Rwork | 0.178 |
R-free | 0.24237 |
Structure solution method | MR |
Starting model (for MR) | PDB entries 2GFO 3mtn |
RMSD bond length | 0.007 |
RMSD bond angle | 1.018 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 15464 | |
<I/σ(I)> | 17.14 | 5.89 |
Completeness [%] | 100.0 | 100 |
Redundancy | 11.6 | 11.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 291 | 24% PEG3350, 0.1 M BIS-TRIS, 0.2 M AMMONIUM ACETATE, 1 MM DTT, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 291K |