3WQ9
Crystal structure of Hsp90-alpha N-terminal domain in complex with 2-(4-Hydroxy-cyclohexylamino)-4-[5-(4-phenyl-imidazol-1-yl)-isoquinolin-1-yl]-benzamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 105 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 67.370, 92.585, 85.148 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.290 - 1.800 |
| R-factor | 0.21671 |
| Rwork | 0.214 |
| R-free | 0.26390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.945 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.470 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.026 | 0.155 |
| Number of reflections | 24346 | |
| <I/σ(I)> | 7.6 | |
| Completeness [%] | 97.2 | 94.9 |
| Redundancy | 6.95 | 7.04 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | PEG 6000, 200mM NaCl, 50mM Tris pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
