6LSZ
HSP 90 in complex with Ganetespib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-21 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 65.692, 89.377, 99.496 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.689 - 1.992 |
| R-factor | 0.1854 |
| Rwork | 0.183 |
| R-free | 0.20780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tuh |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.977 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Number of reflections | 20381 | 1932 |
| <I/σ(I)> | 4.9 | |
| Completeness [%] | 99.0 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.991 | 0.677 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 287 | 100 mM Tris-HCl (pH 8.5) 200 mM MgCl2 25% PEG4000 |
