2BZ5
Structure-based Discovery of a New Class of Hsp90 Inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-03-10 |
| Detector | RIGAKU IMAGE PLATE |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 64.460, 88.562, 98.960 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.198 |
| Rwork | 0.195 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uy6 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.652 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.060 | 0.310 |
| Number of reflections | 40240 | |
| <I/σ(I)> | 11.1 | 3.1 |
| Completeness [%] | 88.6 | 56 |
| Redundancy | 3.19 | 2.12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | CRYSTALLIZATION CONDITIONS: 25% PEG MME 2000, 0.1M NA CACODYLATE, PH6.5, 0.2M MGCL2., pH 6.50 |
