2XK6
Structure of Nek2 bound to aminopyrazine compound 36
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.400, 56.890, 82.140 |
| Unit cell angles | 90.00, 133.75, 90.00 |
Refinement procedure
| Resolution | 19.778 - 2.200 |
| R-factor | 0.1814 |
| Rwork | 0.179 |
| R-free | 0.21840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wqo |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.833 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.430 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.153 | 0.569 |
| Number of reflections | 19746 | |
| <I/σ(I)> | 5 | 2.1 |
| Completeness [%] | 99.3 | 99.9 |
| Redundancy | 3.5 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 2-10% PEG8000, 100MM TRIS PH6.8 |
