7H9Y
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with NH-0224
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-01-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97919 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.940, 91.350, 99.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.610 - 2.110 |
| R-factor | 0.1832 |
| Rwork | 0.181 |
| R-free | 0.21850 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.816 |
| 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] | 35.270 | 35.270 | 2.160 |
| High resolution limit [Å] | 2.110 | 9.440 | 2.110 |
| Rmerge | 0.195 | 0.074 | 1.683 |
| Rmeas | 0.203 | 0.078 | 1.752 |
| Rpim | 0.057 | 0.025 | 0.479 |
| Total number of observations | 230679 | 1956 | 17315 |
| Number of reflections | 17888 | 228 | 1310 |
| <I/σ(I)> | 9.4 | 22.6 | 1.8 |
| Completeness [%] | 100.0 | 98 | 100 |
| Redundancy | 12.9 | 8.6 | 13.2 |
| CC(1/2) | 0.997 | 0.994 | 0.603 |
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 |
