3HZ1
Crystal structure of Hsp90 with fragments 37-D04 and 42-C03
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) | 1.542 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.952, 91.061, 99.310 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.960 - 2.300 |
| R-factor | 0.20441 |
| Rwork | 0.201 |
| R-free | 0.26487 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in-house Hsp90 model |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.988 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.100 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.110 | 0.410 |
| Number of reflections | 13926 | |
| <I/σ(I)> | 5.5 | 1.7 |
| Completeness [%] | 98.6 | 98.3 |
| Redundancy | 2.67 | 2.53 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.2M Magnesium chloride, 0.1M sodium cacodylate, 19-23% PEG2000 MME, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
