6YLC
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 | 67.332, 101.423, 195.889 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.090 - 2.430 |
R-factor | 0.191 |
Rwork | 0.189 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6yky |
RMSD bond length | 0.010 |
RMSD bond angle | 1.140 |
Data reduction software | XDS (version May 1, 2016) |
Data scaling software | Aimless (version 1.1.7) |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 97.940 | 2.476 |
High resolution limit [Å] | 2.430 | 2.434 |
Rmerge | 0.044 | 0.619 |
Rmeas | 0.053 | 1.280 |
Rpim | 0.024 | 0.552 |
Total number of observations | 685 | |
Number of reflections | 43014 | 128 |
<I/σ(I)> | 19.7 | 1.2 |
Completeness [%] | 99.5 | 99.7 |
Redundancy | 5 | 5.3 |
CC(1/2) | 0.999 | 0.509 |
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%v/v Glycerol |