6HKY
Eg5-inhibitor complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2017-07-08 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.920 |
| Spacegroup name | P 32 |
| Unit cell lengths | 95.811, 95.811, 125.953 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.905 - 2.750 |
| R-factor | 0.1831 |
| Rwork | 0.179 |
| R-free | 0.25160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x88 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.483 |
| 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] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.149 | 0.510 |
| Number of reflections | 33572 | 3308 |
| <I/σ(I)> | 9.2 | 1.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.3 | 4.6 |
| CC(1/2) | 0.981 | 0.601 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.04 M KH2PO4 and 12.5% PEG 8000 |
