5V62
Phospho-ERK2 bound to bivalent inhibitor SBP3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-07-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97852 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.327, 77.888, 152.938 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.790 - 1.900 |
R-factor | 0.1725 |
Rwork | 0.171 |
R-free | 0.20330 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.698 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.8) |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.790 | 19.790 | 1.940 |
High resolution limit [Å] | 1.900 | 8.910 | 1.900 |
Rmerge | 0.051 | 0.017 | 1.112 |
Rmeas | 0.056 | 0.019 | 1.204 |
Rpim | 0.022 | 0.008 | 0.458 |
Total number of observations | 266416 | ||
Number of reflections | 40711 | ||
<I/σ(I)> | 21.4 | ||
Completeness [%] | 99.8 | 90.8 | 99.8 |
Redundancy | 6.5 | 5.6 | 6.8 |
CC(1/2) | 0.999 | 1.000 | 0.665 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.1 M Tris-Bicine pH 8.5, 0.02 M each of 1,6-Hexanediol, 1-Butanol, 1,2-Propanediol, 2-Propanol, 1,4-Butanediol, 1,3-Propanediol, 20% v/v PEG550MME, 10% w/v PEG20,000 |