5QST
PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2447286438
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 | 2018-04-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91587 |
Spacegroup name | P 1 |
Unit cell lengths | 66.598, 72.046, 118.412 |
Unit cell angles | 94.81, 98.61, 115.22 |
Refinement procedure
Resolution | 60.650 - 2.580 |
R-factor | 0.2323 |
Rwork | 0.230 |
R-free | 0.27130 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6qb5 |
RMSD bond length | 0.002 |
RMSD bond angle | 1.214 |
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] | 60.550 | 60.550 | 2.650 |
High resolution limit [Å] | 2.580 | 11.540 | 2.580 |
Rmerge | 0.064 | 0.032 | 0.504 |
Rmeas | 0.091 | 0.046 | 0.713 |
Rpim | 0.064 | 0.032 | 0.504 |
Total number of observations | 105995 | 1326 | 7497 |
Number of reflections | 59775 | ||
<I/σ(I)> | 5.8 | 17.8 | 1 |
Completeness [%] | 98.0 | 99 | 97.3 |
Redundancy | 1.8 | 2 | 1.7 |
CC(1/2) | 0.991 | 0.994 | 0.492 |
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 |