3FT5
Structure of HSP90 bound with a novel fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5419 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 65.083, 89.009, 99.715 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.370 - 1.900 |
| R-factor | 0.22061 |
| Rwork | 0.218 |
| R-free | 0.26383 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.340 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.400 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.057 | 0.429 |
| Number of reflections | 22857 | |
| <I/σ(I)> | 11 | 2 |
| Completeness [%] | 98.5 | 88.9 |
| Redundancy | 3.78 | 2.53 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 100mM sodium cacodylate pH 6.5, 19-23% PEG2000 monoethylether, 175 -225mM MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
