2WI7
Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-06-03 |
| Detector | RIGAKU RAXIS-IV |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.795, 90.416, 99.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.850 - 2.500 |
| R-factor | 0.22301 |
| Rwork | 0.220 |
| R-free | 0.28122 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uy6 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.909 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.200 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.100 | 0.510 |
| Number of reflections | 10590 | |
| <I/σ(I)> | 8.8 | 2.7 |
| Completeness [%] | 98.8 | 98.6 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | pH 6.5 |
