5QSO
PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z466628048
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 | 2018-04-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 155.547, 167.538, 48.007 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 83.910 - 2.700 |
| R-factor | 0.2316 |
| Rwork | 0.228 |
| R-free | 0.29460 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6r7o |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.427 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 83.770 | 83.770 | 2.770 |
| High resolution limit [Å] | 2.700 | 12.070 | 2.700 |
| Rmerge | 0.109 | 0.034 | 1.000 |
| Rmeas | 0.119 | 0.037 | 1.095 |
| Rpim | 0.047 | 0.015 | 0.444 |
| Total number of observations | 224016 | 2835 | 15518 |
| Number of reflections | 35536 | ||
| <I/σ(I)> | 9.2 | 33.6 | 1.3 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 6.3 | 5.9 | 6 |
| CC(1/2) | 0.998 | 0.997 | 0.549 |
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 |
