4QTC
Structure of human haspin (GSG2) in complex with SCH772984 revealing the first type-I binding mode
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 | 2013-10-24 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.890, 78.360, 81.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.190 - 1.400 |
| R-factor | 0.14991 |
| Rwork | 0.149 |
| R-free | 0.16420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dlz |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.610 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.240 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.044 | 0.693 |
| Number of reflections | 98923 | |
| <I/σ(I)> | 17.9 | 2.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.1 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277.15 | 51% MPD and 0.1 M SPG pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K |
