3F2N
Crystal Structure of Human Haspin with an Imidazo-pyridazine ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-26 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9789 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.416, 77.307, 85.575 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.350 - 1.800 |
| R-factor | 0.16235 |
| Rwork | 0.161 |
| R-free | 0.18553 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vuw |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.438 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0055) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.350 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.068 | 0.462 |
| Number of reflections | 44444 | |
| <I/σ(I)> | 11.8 | 2 |
| Completeness [%] | 99.5 | 96.9 |
| Redundancy | 3.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.1M Na/KPO4, 20% PEG 3350, 10% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
