5M51
Nek2 bound to arylaminopurine compound 8
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 | 56.717, 73.736, 75.076 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.607 - 1.899 |
| R-factor | 0.2237 |
| Rwork | 0.222 |
| R-free | 0.25670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w5a |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.057 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.700 | 2.000 |
| High resolution limit [Å] | 1.899 | 1.899 |
| Rmerge | 0.075 | 0.346 |
| Number of reflections | 25458 | |
| <I/σ(I)> | 15.8 | 3.2 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 4.6 | 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 |
