7HBU
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with CC-0741
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 | 2023-09-04 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.150, 89.500, 100.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.370 - 1.440 |
| R-factor | 0.1585 |
| Rwork | 0.157 |
| R-free | 0.17860 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.451 |
| 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] | 55.190 | 55.190 | 1.480 |
| High resolution limit [Å] | 1.440 | 6.440 | 1.440 |
| Rmerge | 0.043 | 0.042 | 0.275 |
| Rmeas | 0.045 | 0.044 | 0.297 |
| Rpim | 0.013 | 0.013 | 0.107 |
| Total number of observations | 632405 | 7556 | 23605 |
| Number of reflections | 53413 | 672 | 3445 |
| <I/σ(I)> | 32.8 | 55.8 | 6.6 |
| Completeness [%] | 98.9 | 98.2 | 88.4 |
| Redundancy | 11.8 | 11.2 | 6.9 |
| CC(1/2) | 0.999 | 0.997 | 0.969 |
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 |
