3O0I
Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor PU-H54
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Detector technology | CCD |
| Collection date | 2009-03-14 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | .9793 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.711, 90.881, 98.603 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.580 - 1.470 |
| R-factor | 0.20854 |
| Rwork | 0.207 |
| R-free | 0.23394 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.104 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.000 |
| High resolution limit [Å] | 1.470 |
| Rmerge | 0.039 |
| Number of reflections | 49404 |
| <I/σ(I)> | 58.1 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 5-fold molar excess PU-H54 ligand, 12-16% PEG-2KMME, 225-300 mM MgCl2, Sodium Cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
