2YK2
Tricyclic series of Hsp90 inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-06 |
| Detector | MARRESEARCH |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.608, 99.103, 90.873 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.850 - 1.740 |
| R-factor | 0.183 |
| Rwork | 0.181 |
| R-free | 0.21110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.9.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 14.850 | 1.800 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.070 | 0.380 |
| Number of reflections | 30793 | |
| Completeness [%] | 98.6 | 90.9 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | pH 7.5 |
