2XKE
Structure of Nek2 bound to Aminipyrazine Compound 5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.130, 56.880, 79.830 |
| Unit cell angles | 90.00, 133.36, 90.00 |
Refinement procedure
| Resolution | 50.430 - 2.203 |
| R-factor | 0.1778 |
| Rwork | 0.175 |
| R-free | 0.22630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wqo |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.152 |
| 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] | 58.040 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.071 | 0.241 |
| Number of reflections | 16779 | |
| <I/σ(I)> | 13.2 | 5.7 |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 3.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 2-10% PEG8000, 100MM TRIS PH 6.8 |
