3FMD
Crystal Structure of Human Haspin with an Isoquinoline ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-06-26 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.510, 73.660, 87.740 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.000 - 2.000 |
| R-factor | 0.226 |
| Rwork | 0.224 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vuw |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.581 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.2) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.248 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.130 | 0.494 |
| Number of reflections | 30973 | |
| <I/σ(I)> | 5.7 | 2.1 |
| Completeness [%] | 89.5 | 81.8 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 20% PEG 3350, 0.20M Na(malonate), pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
