4N4S
A Double Mutant Rat Erk2 in Complex With a Pyrazolo[3,4-d]pyrimidine Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.090, 57.630, 68.000 |
| Unit cell angles | 86.57, 88.98, 81.05 |
Refinement procedure
| Resolution | 56.900 - 2.200 |
| R-factor | 0.2225 |
| Rwork | 0.221 |
| R-free | 0.25340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qyw |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.031 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.880 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.109 | 0.286 |
| Number of reflections | 27949 | |
| <I/σ(I)> | 4.2 | 1.5 |
| Completeness [%] | 79.8 | 82.1 |
| Redundancy | 1.8 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 295 | 100 mM CHES, pH 9.5, 30% PEG3000, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
