5QSW
PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434884
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 | 2018-09-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 1 |
| Unit cell lengths | 66.489, 72.409, 118.515 |
| Unit cell angles | 94.89, 98.60, 115.59 |
Refinement procedure
| Resolution | 115.520 - 3.030 |
| R-factor | 0.1914 |
| Rwork | 0.187 |
| R-free | 0.26720 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6qb5 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.521 |
| 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] | 115.500 | 115.500 | 3.110 |
| High resolution limit [Å] | 3.030 | 13.550 | 3.030 |
| Rmerge | 0.072 | 0.028 | 0.635 |
| Rmeas | 0.101 | 0.040 | 0.898 |
| Rpim | 0.072 | 0.028 | 0.635 |
| Total number of observations | 65596 | 817 | 4985 |
| Number of reflections | 37042 | ||
| <I/σ(I)> | 6.4 | 21 | 1.1 |
| Completeness [%] | 98.3 | 99.5 | 98.1 |
| Redundancy | 1.8 | 1.9 | 1.8 |
| CC(1/2) | 0.994 | 0.981 | 0.610 |
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 |
