5QSN
PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z1272480091
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 | 154.984, 167.688, 47.106 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 113.820 - 2.660 |
R-factor | 0.2211 |
Rwork | 0.217 |
R-free | 0.28790 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6r7o |
RMSD bond length | 0.006 |
RMSD bond angle | 1.453 |
Data reduction software | XDS |
Data scaling software | Aimless (0.6.2) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 113.820 | 2.730 |
High resolution limit [Å] | 2.660 | 2.660 |
Rmerge | 0.130 | 0.860 |
Rmeas | 0.154 | 0.107 |
Rpim | 0.061 | 0.433 |
Total number of observations | 229809 | |
Number of reflections | 36436 | 2602 |
<I/σ(I)> | 7 | 1.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.3 | 6.1 |
CC(1/2) | 0.997 | 0.365 |
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 |