4AWO
Complex of HSP90 ATPase domain with tropane derived inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 93.2 |
| Detector technology | CCD |
| Collection date | 2007-07-05 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.656, 57.363, 57.442 |
| Unit cell angles | 70.87, 87.86, 68.95 |
Refinement procedure
| Resolution | 54.070 - 1.700 |
| R-factor | 0.21504 |
| Rwork | 0.213 |
| R-free | 0.25111 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN-HOUSE APO STRUCTURE |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.875 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.510 | 1.900 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.140 | 0.530 |
| Number of reflections | 52156 | |
| <I/σ(I)> | 11.6 | 1.69 |
| Completeness [%] | 94.6 | 94.4 |
| Redundancy | 1.98 | 1.99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | pH 8.0 |
