3HYY
Crystal structure of Hsp90 with fragment 37-D04
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 | 66.936, 90.604, 98.765 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.750 - 1.900 |
| R-factor | 0.19381 |
| Rwork | 0.192 |
| R-free | 0.23784 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in-house Hsp90 model |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.105 |
| 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] | 66.800 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.060 | 0.300 |
| Number of reflections | 23818 | |
| <I/σ(I)> | 9.9 | 3 |
| Completeness [%] | 99.0 | 96.2 |
| Redundancy | 2.66 | 2.44 |
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 |
