2WQO
STRUCTURE OF NEK2 BOUND TO THE AMINOPYRIDINE CCT241950
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 | 100.430, 56.840, 73.490 |
| Unit cell angles | 90.00, 128.09, 90.00 |
Refinement procedure
| Resolution | 57.840 - 2.167 |
| R-factor | 0.186 |
| Rwork | 0.183 |
| R-free | 0.23500 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.130 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.800 | 2.280 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.090 | 0.380 |
| Number of reflections | 17404 | |
| <I/σ(I)> | 10.3 | 3.4 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 2-10% PEG8000, 50MM TRIS PH 8.5, |
