4AWQ
Complex of HSP90 ATPase domain with tropane derived inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 93.2 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-06-04 |
| Detector | RIGAKU IMAGE PLATE |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.324, 56.769, 57.444 |
| Unit cell angles | 70.40, 87.01, 68.70 |
Refinement procedure
| Resolution | 44.980 - 1.600 |
| R-factor | 0.2288 |
| Rwork | 0.227 |
| R-free | 0.26219 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN-HOUSE APO STRUCTURE |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.702 |
| 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 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.020 | 0.220 |
| Number of reflections | 52546 | |
| <I/σ(I)> | 17.5 | 3 |
| Completeness [%] | 81.3 | 29.6 |
| Redundancy | 1.93 | 1.91 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | pH 8.0 |
