2YJW
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 | IMAGE PLATE |
| Collection date | 2010-11-09 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 65.700, 89.090, 100.150 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.720 - 1.610 |
| R-factor | 0.1875 |
| Rwork | 0.186 |
| R-free | 0.20960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| 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] | 15.720 | |
| High resolution limit [Å] | 1.670 | |
| Rmerge | 0.060 | 0.490 |
| Number of reflections | 38324 | |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | NA CITRATE 1.3 M., pH 7.5 |
