5M57
Nek2 bound to arylaminopurine 6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.733, 73.595, 75.393 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.664 - 2.300 |
| R-factor | 0.2213 |
| Rwork | 0.219 |
| R-free | 0.27420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w5a |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.236 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.500 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.063 | 0.302 |
| Number of reflections | 14309 | |
| <I/σ(I)> | 13.6 | 3.1 |
| Completeness [%] | 98.3 | 90.6 |
| Redundancy | 3.5 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 3 % PEG 8000, 50 mM Tris pH 8.5 |
