5XRE
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor JX1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-03-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97892 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 67.146, 90.184, 97.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.202 - 1.497 |
R-factor | 0.1825 |
Rwork | 0.182 |
R-free | 0.19560 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.156 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 36.202 |
High resolution limit [Å] | 1.497 |
Number of reflections | 47955 |
<I/σ(I)> | 52.475 |
Completeness [%] | 100.0 |
Redundancy | 14.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 20%-25%(w/v) PEG 2000 monomethyl ether, 200mM magnesium chloride, 100mM sodium cacodylate, pH 6.5 |