5QSU
PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434926
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 21 21 21 |
| Unit cell lengths | 65.340, 124.030, 231.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 115.650 - 2.730 |
| R-factor | 0.1943 |
| Rwork | 0.191 |
| R-free | 0.26260 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6qb5 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.487 |
| 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] | 115.650 | 115.650 | 2.800 |
| High resolution limit [Å] | 2.730 | 12.210 | 2.730 |
| Rmerge | 0.220 | 0.037 | 2.040 |
| Rmeas | 0.240 | 0.041 | 2.215 |
| Rpim | 0.094 | 0.017 | 0.855 |
| Total number of observations | 333675 | 4107 | 24561 |
| Number of reflections | 50939 | ||
| <I/σ(I)> | 8.1 | 32.4 | 0.9 |
| Completeness [%] | 99.9 | 99.8 | 100 |
| Redundancy | 6.6 | 6 | 6.7 |
| CC(1/2) | 0.997 | 0.999 | 0.594 |
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 |
