5LCK
A Clickable Covalent ERK 1/2 Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-09-24 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 1.5417 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.861, 70.909, 60.417 |
| Unit cell angles | 90.00, 109.43, 90.00 |
Refinement procedure
| Resolution | 28.500 - 1.890 |
| R-factor | 0.166 |
| Rwork | 0.164 |
| R-free | 0.21200 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.050 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.100 | 1.930 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.085 | 0.446 |
| Number of reflections | 105730 | |
| <I/σ(I)> | 8.7 | 2.1 |
| Completeness [%] | 96.4 | 73.7 |
| Redundancy | 3.4 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7.2 | 293 | 2M (NH4)2SO4 32% MPEG 2000 .02M Mercaptoethanol .1M pH=7.2 HEPES/NaOH |
