8W8K
Crystal structures of HSP90 and the compound Ganetespid in the "closed" conformation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-05-29 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9785 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 64.275, 88.815, 98.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.410 - 2.250 |
R-factor | 0.1811 |
Rwork | 0.179 |
R-free | 0.22020 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.860 |
Data scaling software | HKL-3000 (2.3.15) |
Phasing software | PHASER (1.20.1_4487) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.280 |
High resolution limit [Å] | 2.240 | 6.080 | 2.240 |
Rmerge | 0.106 | 0.095 | 0.249 |
Rmeas | 0.111 | 0.100 | 0.259 |
Rpim | 0.031 | 0.030 | 0.070 |
Total number of observations | 355202 | ||
Number of reflections | 27563 | 1527 | 1365 |
<I/σ(I)> | 10.8 | ||
Completeness [%] | 99.9 | 99.9 | 100 |
Redundancy | 12.9 | 11.3 | 13.2 |
CC(1/2) | 0.990 | 0.988 | 0.985 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 100 mM Bis-Tris, pH 8.5, 20% PEG 3355, 200 mM NaF |