5QSV
PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434783
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 | 2018-07-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 1 |
| Unit cell lengths | 66.443, 71.748, 118.782 |
| Unit cell angles | 95.13, 99.21, 115.27 |
Refinement procedure
| Resolution | 58.680 - 2.760 |
| R-factor | 0.2009 |
| Rwork | 0.198 |
| R-free | 0.26390 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6qb5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.506 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 60.640 | 60.640 | 2.900 |
| High resolution limit [Å] | 2.760 | 8.710 | 2.760 |
| Rmerge | 0.041 | 0.015 | 0.858 |
| Rmeas | 0.058 | 0.022 | 1.213 |
| Rpim | 0.041 | 0.015 | 0.858 |
| Total number of observations | 85812 | 2664 | 13023 |
| Number of reflections | 47491 | ||
| <I/σ(I)> | 10.1 | 38.6 | 0.8 |
| Completeness [%] | 95.3 | 94.3 | 96.8 |
| Redundancy | 1.8 | 1.8 | 1.9 |
| CC(1/2) | 0.999 | 0.999 | 0.465 |
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 |
