6G6Y
Eg5-inhibitor complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2017-11-22 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 0.96600 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 62.474, 108.368, 111.373 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.720 - 1.800 |
| R-factor | 0.214 |
| Rwork | 0.212 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x88 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.237 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.052 | 0.509 |
| Number of reflections | 33982 | 3262 |
| <I/σ(I)> | 13.9 | 2.5 |
| Completeness [%] | 96.3 | 94.8 |
| Redundancy | 3.8 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.1 M HEPES pH 8.0, 12.5 % PEG3350, and 0.1 M MgCl2 |
