5OD7
Hsp90 inhibitor desolvation as a rationale to steer on-rates and impact residence time
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2008-05-01 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.979300 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 68.840, 87.620, 96.310 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.150 - 2.000 |
| R-factor | 0.212 |
| Rwork | 0.209 |
| R-free | 0.26400 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.240 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.155 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 19626 | |
| <I/σ(I)> | 6.97 | |
| Completeness [%] | 98.5 | |
| Redundancy | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | Na-Cacodylate, pH 6.5 28% PEG8000 0,2 M NH4-Sulfate |
