5XRD
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FS7
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 | 2017-03-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97892 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 65.634, 88.846, 99.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.524 - 1.300 |
R-factor | 0.1747 |
Rwork | 0.174 |
R-free | 0.18560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3t0z |
RMSD bond length | 0.006 |
RMSD bond angle | 1.083 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.6.2_432) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.524 | 1.350 |
High resolution limit [Å] | 1.300 | 1.300 |
Number of reflections | 71880 | 6364 |
<I/σ(I)> | 60.219 | |
Completeness [%] | 99.8 | |
Redundancy | 14.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 15~20% PEG 3350, 5mM magnesium chloride, 500mM ammonium phosphate, 100mM Bis-Tris pH 6.5 |