6G37
Crystal structure of haspin in complex with 5-fluorotubercidin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.711, 78.890, 79.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.800 - 1.480 |
| R-factor | 0.14916 |
| Rwork | 0.148 |
| R-free | 0.16741 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ouc |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.605 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.800 | 1.510 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.149 | |
| Number of reflections | 83206 | 4087 |
| <I/σ(I)> | 9.9 | 2.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.3 | 5.5 |
| CC(1/2) | 0.994 | 0.648 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 51-63% MPD and 0.1M SPG buffer, pH 6.0-6.5 |
