4AFE
Nek2 bound to hybrid compound 21
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-12 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.039, 56.724, 74.279 |
| Unit cell angles | 90.00, 127.10, 90.00 |
Refinement procedure
| Resolution | 50.286 - 2.597 |
| R-factor | 0.2183 |
| Rwork | 0.216 |
| R-free | 0.24820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a4x |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.290 | 2.730 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.130 | 0.500 |
| Number of reflections | 10319 | |
| <I/σ(I)> | 6 | 2.1 |
| Completeness [%] | 97.4 | 87.2 |
| Redundancy | 2.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
