4AWP
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 | 2006-11-30 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.307, 56.904, 57.457 |
| Unit cell angles | 70.48, 87.20, 69.02 |
Refinement procedure
| Resolution | 53.990 - 1.820 |
| R-factor | 0.20719 |
| Rwork | 0.205 |
| R-free | 0.24561 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN-HOUSE APO STRUCTURE |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.672 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.980 | 1.860 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.180 | 0.750 |
| Number of reflections | 39846 | |
| <I/σ(I)> | 8.36 | 1.14 |
| Completeness [%] | 78.7 | 27.5 |
| Redundancy | 1.95 | 1.89 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | pH 8 |
