5M55
Nek2 bound to arylaminopurine 71
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-26 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9763 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.300, 57.610, 79.920 |
| Unit cell angles | 90.00, 132.99, 90.00 |
Refinement procedure
| Resolution | 36.683 - 2.400 |
| R-factor | 0.1907 |
| Rwork | 0.188 |
| R-free | 0.24860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w5a |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.226 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.167 | 0.586 |
| Number of reflections | 13101 | |
| <I/σ(I)> | 4.2 | 2 |
| Completeness [%] | 99.5 | 99.4 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 3 % PEG 8000, 50 mM Tris pH 8.5 |
