2WI6
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 | 2007-11-09 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 64.930, 87.957, 99.132 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.800 - 2.180 |
| R-factor | 0.237 |
| Rwork | 0.233 |
| R-free | 0.30400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uy6 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.096 |
| 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 | 2.900 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.050 | 0.270 |
| Number of reflections | 14988 | |
| <I/σ(I)> | 31.3 | 3.8 |
| Completeness [%] | 86.3 | 58.3 |
| Redundancy | 3 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | pH 6.5 |
