6YKY
Biochemical, Cellular and Structural Characterization of Novel ERK3 Inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-25 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.966000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.978, 100.883, 195.522 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.080 - 2.520 |
R-factor | 0.201 |
Rwork | 0.198 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2I6L |
RMSD bond length | 0.010 |
RMSD bond angle | 1.140 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | autoBUSTER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.900 | 2.560 |
High resolution limit [Å] | 2.520 | 2.520 |
Rmerge | 0.095 | 1.056 |
Rmeas | 0.109 | 1.243 |
Rpim | 0.051 | 0.646 |
Number of reflections | 36937 | 103 |
<I/σ(I)> | 10.5 | 2 |
Completeness [%] | 92.8 | 4.3 |
Redundancy | 4.1 | 3.6 |
CC(1/2) | 0.998 | 0.530 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 100 mM Bis-Tris (pH 6), 100 mM Lithium acetate, 18%v/v Sokalan CP42, 3%vv Glycerol |