5QSX
PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434812
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 | 2018-09-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 1 |
| Unit cell lengths | 66.723, 72.398, 118.428 |
| Unit cell angles | 94.82, 98.37, 115.51 |
Refinement procedure
| Resolution | 115.570 - 2.340 |
| R-factor | 0.2152 |
| Rwork | 0.212 |
| R-free | 0.27450 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6qb5 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.535 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 115.570 | 115.570 | 2.470 |
| High resolution limit [Å] | 2.340 | 7.400 | 2.340 |
| Rmerge | 0.055 | 0.028 | 1.071 |
| Rmeas | 0.078 | 0.040 | 1.515 |
| Rpim | 0.055 | 0.028 | 1.071 |
| Total number of observations | 142462 | 4415 | 19976 |
| Number of reflections | 79588 | ||
| <I/σ(I)> | 6.7 | 23.8 | 0.6 |
| Completeness [%] | 96.4 | 94.5 | 97.1 |
| Redundancy | 1.8 | 1.8 | 1.7 |
| CC(1/2) | 0.997 | 0.996 | 0.447 |
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 |
