4NH8
Correlation between chemotype-dependent binding conformations of HSP90 alpha/beta and isoform selectivity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97740 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.870, 90.840, 99.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.420 - 1.650 |
| R-factor | 0.1825 |
| Rwork | 0.182 |
| R-free | 0.18660 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.270 |
| Data reduction software | PROCESS |
| Data scaling software | PROCESS |
| Phasing software | BUSTER (2.11.5) |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.421 | 1.651 |
| High resolution limit [Å] | 1.645 | 1.645 |
| Rmerge | 0.567 | |
| Number of reflections | 36459 | |
| <I/σ(I)> | 2.5 | |
| Completeness [%] | 99.3 | 98.5 |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 20-25% PEGMME2K, 100mM MgCl2, 100mM cacodylate pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
