2FXS
Yeast HSP82 in complex with the novel HSP90 Inhibitor Radamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-03-29 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.99997 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 74.205, 74.205, 110.852 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.410 - 2.000 |
| Rwork | 0.196 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ah6 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 21635 | |
| <I/σ(I)> | 29.77 | 5.67 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 14 | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbatch under mineral oil | 5 | 291 | 8-9% PEG MME 550, 25% glycerol, 90 mM CaCl2 4 times as much protein as precipitant solution 1uL ligand (in DMSO) per 50 protein for final concentration ~10mM , pH 5.0, Microbatch under mineral oil, temperature 291K |
