5LO0
HSP90 WITH indazole derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X1A |
| Synchrotron site | NSLS |
| Beamline | X1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2009-05-20 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.593, 91.130, 98.671 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.560 - 2.300 |
| R-factor | 0.197 |
| Rwork | 0.195 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4eeh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.000 | 2.440 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.040 | 0.533 |
| Number of reflections | 13667 | |
| <I/σ(I)> | 25.25 | 3.31 |
| Completeness [%] | 99.4 | 97.5 |
| Redundancy | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 100 mM BisTris pH 6.5, 250 mM NaF, 21-26% PEG3350 |
