2YE6
HSP90 inhibitors and drugs from fragment and virtual screening
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-07-14 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 65.259, 88.343, 100.211 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.940 - 2.560 |
| R-factor | 0.21819 |
| Rwork | 0.215 |
| R-free | 0.29033 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wi1 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.557 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.940 | 2.650 |
| High resolution limit [Å] | 2.560 | 2.560 |
| Rmerge | 0.110 | 0.320 |
| Number of reflections | 8697 | |
| <I/σ(I)> | 5.4 | 2 |
| Completeness [%] | 94.6 | 80.2 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | pH 6.5 |
