5HTC
Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3372
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-07 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.91741 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.970, 78.903, 81.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.020 - 1.500 |
| R-factor | 0.15062 |
| Rwork | 0.150 |
| R-free | 0.17125 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qtc |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.628 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.020 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.054 | 0.262 |
| Number of reflections | 79693 | |
| <I/σ(I)> | 17 | 5.9 |
| Completeness [%] | 99.0 | 97.6 |
| Redundancy | 5.6 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 52-60% MPD and 0.1 M SPG pH 6.5-7.0 |
