2VCJ
4,5 Diaryl Isoxazole Hsp90 Chaperone Inhibitors: Potential Therapeutic Agents for the Treatment of Cancer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-04-02 |
| Detector | RIGAKU IMAGE PLATE |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.038, 89.289, 99.516 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.940 - 2.500 |
| R-factor | 0.225 |
| Rwork | 0.221 |
| R-free | 0.30500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uy6 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.918 |
| Data reduction software | d*TREK |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.200 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.080 | 0.420 |
| Number of reflections | 30276 | |
| <I/σ(I)> | 6.3 | 1.9 |
| Completeness [%] | 95.2 | 83.2 |
| Redundancy | 2.21 | 1.56 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
