2XKC
Structure of Nek2 bound to aminopyrazine compound 14
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 | 100.110, 56.550, 73.610 |
| Unit cell angles | 90.00, 127.96, 90.00 |
Refinement procedure
| Resolution | 31.029 - 2.500 |
| R-factor | 0.1891 |
| Rwork | 0.187 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wqo |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.611 |
| 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] | 58.030 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.107 | 0.486 |
| Number of reflections | 10970 | |
| <I/σ(I)> | 7.9 | 2.7 |
| Completeness [%] | 97.1 | 96.3 |
| Redundancy | 3.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 2-10% PEG8000, 100MM TRIS PH6.8 |
