6YM3
Crystal structure of Compound 1 with PIP4K2A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-03-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.934, 98.132, 104.256 |
| Unit cell angles | 90.00, 92.96, 90.00 |
Refinement procedure
| Resolution | 45.990 - 2.050 |
| R-factor | 0.2036 |
| Rwork | 0.202 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ybx |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.142 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.990 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.060 | 0.512 |
| Number of reflections | 59573 | 9014 |
| <I/σ(I)> | 12.5 | |
| Completeness [%] | 99.3 | 99.3 |
| Redundancy | 3.68 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | PEG3350, magnesium formate, glycerol |
