3DV3
MEK1 with PF-04622664 Bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-BM |
| Synchrotron site | APS |
| Beamline | 17-BM |
| Detector technology | CCD |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 62 |
| Unit cell lengths | 81.596, 81.596, 129.966 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.830 - 2.300 |
| R-factor | 0.184 |
| Rwork | 0.182 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.900 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 100.000 | 100.000 | 2.330 |
| High resolution limit [Å] | 2.250 | 4.850 | 2.250 |
| Rmerge | 0.049 | 0.038 | 0.777 |
| Number of reflections | 23200 | ||
| <I/σ(I)> | 12.2 | ||
| Completeness [%] | 99.2 | 92.6 | 100 |
| Redundancy | 7.6 | 7.3 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | VAPOR DIFFUSION, HANGING DROP |
