6HKX
Eg5-inhibitor complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2016-12-18 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.910, 80.130, 135.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.415 - 2.800 |
| R-factor | 0.1835 |
| Rwork | 0.179 |
| R-free | 0.27070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x88 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.527 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.154 | 0.397 |
| Number of reflections | 18515 | 11293 |
| <I/σ(I)> | 7.1 | |
| Completeness [%] | 96.6 | 97.9 |
| Redundancy | 3.9 | 4.2 |
| CC(1/2) | 0.980 | 0.861 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M MES, pH 5.5, 25.5% PEG 3350 and 0.25 M (NH4)2SO4 or 0.1 M HEPES, pH 6.5, 0.2 M K2HPO4, 33% PEG 3350 |
