2YJX
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 | 2010-11-09 |
| Detector | MARRESEARCH |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.399, 90.765, 98.734 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.550 - 1.830 |
| R-factor | 0.1761 |
| Rwork | 0.175 |
| R-free | 0.19860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| Data reduction software | PROCESS-XDS |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.9.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.550 | 1.910 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.040 | 0.210 |
| Number of reflections | 26359 | |
| Completeness [%] | 99.6 | 97.5 |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | pH 7.5 |
