5QST
PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2447286438
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 1 |
| Unit cell lengths | 66.598, 72.046, 118.412 |
| Unit cell angles | 94.81, 98.61, 115.22 |
Refinement procedure
| Resolution | 60.650 - 2.580 |
| R-factor | 0.2323 |
| Rwork | 0.230 |
| R-free | 0.27130 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6qb5 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.214 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 60.550 | 60.550 | 2.650 |
| High resolution limit [Å] | 2.580 | 11.540 | 2.580 |
| Rmerge | 0.064 | 0.032 | 0.504 |
| Rmeas | 0.091 | 0.046 | 0.713 |
| Rpim | 0.064 | 0.032 | 0.504 |
| Total number of observations | 105995 | 1326 | 7497 |
| Number of reflections | 59775 | ||
| <I/σ(I)> | 5.8 | 17.8 | 1 |
| Completeness [%] | 98.0 | 99 | 97.3 |
| Redundancy | 1.8 | 2 | 1.7 |
| CC(1/2) | 0.991 | 0.994 | 0.492 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol |
