7H9M
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13527
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-07-05 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.97918 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 65.897, 89.439, 100.302 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.550 - 1.490 |
R-factor | 0.1685 |
Rwork | 0.168 |
R-free | 0.18000 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.004 |
RMSD bond angle | 0.737 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | DIMPLE |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 66.750 | 66.750 | 1.570 |
High resolution limit [Å] | 1.490 | 4.700 | 1.490 |
Rmerge | 0.043 | 0.026 | 0.470 |
Rmeas | 0.045 | 0.028 | 0.503 |
Rpim | 0.013 | 0.008 | 0.171 |
Total number of observations | 545940 | 19779 | 37240 |
Number of reflections | 45869 | 1666 | 4706 |
<I/σ(I)> | 30.9 | 82.1 | 3.3 |
Completeness [%] | 93.6 | 99.4 | 67 |
Redundancy | 11.9 | 11.9 | 7.9 |
CC(1/2) | 1.000 | 0.999 | 0.897 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 100mM Tris-HCl pH 8.5, 22% PEG4000, 200mM MgCl2 |