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 |