6G6Z
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) | 0.9660 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 100.295, 100.295, 185.372 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.410 - 2.800 |
| R-factor | 0.223 |
| Rwork | 0.219 |
| R-free | 0.28700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x88 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.687 |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.061 | 0.569 |
| Number of reflections | 14140 | |
| <I/σ(I)> | 22.8 | 1.9 |
| Completeness [%] | 99.9 | 98.3 |
| Redundancy | 9.2 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 0.1 M MES, pH 5.5, 24.5% PEG 3350, 0.3 M (NH4)2SO4, 0.1 M Trimethylamine |
