5M53
Nek2 bound to arylaminopurine inhibitor 11
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 | 56.416, 73.491, 74.435 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.745 - 1.900 |
| R-factor | 0.1978 |
| Rwork | 0.196 |
| R-free | 0.23520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w5a |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.078 |
| 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] | 73.500 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.061 | 0.382 |
| Number of reflections | 24327 | |
| <I/σ(I)> | 13.2 | 3 |
| Completeness [%] | 97.4 | 86.3 |
| Redundancy | 3.4 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 3 % PEG 8000, 50 mM Tris pH 8.5 |
