5QSZ
PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z1267773786
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 | 2018-04-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 154.972, 167.338, 47.677 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 113.700 - 3.080 |
| R-factor | 0.2314 |
| Rwork | 0.228 |
| R-free | 0.29190 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6r7o |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.370 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 83.680 | 83.680 | 3.160 |
| High resolution limit [Å] | 3.080 | 13.770 | 3.080 |
| Rmerge | 0.211 | 0.069 | 0.851 |
| Rmeas | 0.230 | 0.077 | 0.922 |
| Rpim | 0.091 | 0.032 | 0.354 |
| Total number of observations | 152197 | 1906 | 11807 |
| Number of reflections | 23924 | ||
| <I/σ(I)> | 5.6 | 15.2 | 1.8 |
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 6.4 | 5.6 | 6.6 |
| CC(1/2) | 0.993 | 0.995 | 0.708 |
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 |
