6LR9
HSP90 in complex with Debio0932
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 | 67.454, 89.867, 97.495 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.934 - 2.196 |
R-factor | 0.1714 |
Rwork | 0.167 |
R-free | 0.20900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cf0 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.797 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.934 | 2.280 |
High resolution limit [Å] | 2.196 | 2.200 |
Rmerge | 0.170 | |
Rpim | 0.483 | |
Number of reflections | 15425 | 1499 |
<I/σ(I)> | 14.559 | |
Completeness [%] | 99.9 | |
Redundancy | 9.6 | |
CC(1/2) | 0.717 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 100 mM Tris-HCl (pH 8.5) 200 mM MgCl2 25% PEG4000 |