2WI3
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 | 2002-09-10 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 65.682, 89.172, 99.783 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.940 - 1.900 |
| R-factor | 0.19992 |
| Rwork | 0.198 |
| R-free | 0.24248 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uy6 |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.215 |
| Data reduction software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.250 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.020 | 0.180 |
| Number of reflections | 21769 | |
| <I/σ(I)> | 21.2 | 3.2 |
| Completeness [%] | 92.8 | 64 |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | pH 6.5 |
