6YLL
Biochemical, Cellular and Structural Characterization of Novel ERK3 Inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-05 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.99977 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 85.120, 85.120, 181.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.100 - 2.890 |
R-factor | 0.246 |
Rwork | 0.245 |
R-free | 0.26300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2I6L |
RMSD bond length | 0.008 |
RMSD bond angle | 0.980 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.270 | 49.270 | 3.060 |
High resolution limit [Å] | 2.890 | 8.540 | 2.890 |
Rmerge | 0.047 | ||
Rmeas | 0.390 | 0.050 | 3.896 |
Number of reflections | 15620 | 694 | 2422 |
<I/σ(I)> | 8.7 | 41.88 | 0.76 |
Completeness [%] | 99.6 | 99.3 | 98.1 |
Redundancy | 12.623 | 10.867 | 12.745 |
CC(1/2) | 0.996 | 0.999 | 0.432 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | 0.3 M CaCl2, 6% v/v PEG1500, 0.1 M Mes pH 6.5 |