2UWD
Inhibition of the HSP90 molecular chaperone in vitro and in vivo by novel, synthetic, potent resorcinylic pyrazole, isoxazole amide analogs
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-09-11 |
| Detector | RIGAKU IMAGE PLATE |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 65.297, 88.683, 99.701 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.940 - 1.900 |
| R-factor | 0.204 |
| Rwork | 0.201 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uy6 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.462 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.120 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.060 | 0.300 |
| Number of reflections | 23194 | |
| <I/σ(I)> | 8 | 3.3 |
| Completeness [%] | 99.1 | 89 |
| Redundancy | 3.2 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | pH 6.50 |
