2XK3
Structure of Nek2 bound to Aminopyrazine compound 35
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 | 101.030, 57.090, 81.410 |
| Unit cell angles | 90.00, 133.50, 90.00 |
Refinement procedure
| Resolution | 19.684 - 2.200 |
| R-factor | 0.1876 |
| Rwork | 0.185 |
| R-free | 0.23790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wqo |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.051 |
| 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] | 50.300 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.112 | 0.563 |
| Number of reflections | 13956 | |
| <I/σ(I)> | 8.7 | 2.4 |
| Completeness [%] | 81.2 | 99.1 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 2-10% PEG8000, 100MM TRIS PH6.8 |
