5LCJ
In-Gel Activity-Based Protein Profiling of a Clickable Covalent Erk 1/2 Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E DW |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-09-07 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 1.5417 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.729, 70.807, 60.208 |
Unit cell angles | 90.00, 109.18, 90.00 |
Refinement procedure
Resolution | 26.670 - 1.780 |
R-factor | 0.165 |
Rwork | 0.162 |
R-free | 0.21200 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.013 |
RMSD bond angle | 1.080 |
Data reduction software | iMOSFLM |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.050 | 1.820 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmerge | 0.035 | 0.658 |
Number of reflections | 102572 | |
<I/σ(I)> | 17.2 | 1.9 |
Completeness [%] | 87.1 | 75.8 |
Redundancy | 3 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 7.2 | 297 | .2M (NH4)2SO4 32% MPEG 2000 .02M Mercaptoethanol .1M pH=7.2 HEPES/NaOH |