2FYP
GRP94 in complex with the novel HSP90 Inhibitor Radester amine
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 | 2005-06-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.610, 84.740, 95.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.870 - 1.950 |
| Rwork | 0.230 |
| R-free | 0.26500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yt1 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| 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] | 1.950 | 1.950 |
| Number of reflections | 38680 | |
| <I/σ(I)> | 17.5 | 4.27 |
| Completeness [%] | 98.3 | 90 |
| Redundancy | 5.7 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 100 mM Tris pH 8.0, 25-30% PEG MME 550, 10-50 mM MgCl2, .5-1uL ligand (in DMSO) per 50 protein for final concentration ~5-10mM , VAPOR DIFFUSION, HANGING DROP, temperature 291K |
