5QSQ
PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z396380540
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 21 21 2 |
Unit cell lengths | 155.168, 167.216, 47.617 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 113.740 - 2.480 |
R-factor | 0.2285 |
Rwork | 0.225 |
R-free | 0.28910 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6r7o |
RMSD bond length | 0.006 |
RMSD bond angle | 1.446 |
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] | 155.160 | 155.160 | 2.540 |
High resolution limit [Å] | 2.480 | 11.090 | 2.480 |
Rmerge | 0.101 | 0.028 | 0.913 |
Rmeas | 0.111 | 0.031 | 1.003 |
Rpim | 0.044 | 0.013 | 0.411 |
Total number of observations | 288705 | 3676 | 19303 |
Number of reflections | 45090 | ||
<I/σ(I)> | 9.3 | 37.4 | 1.5 |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 6.4 | 6 | 5.9 |
CC(1/2) | 0.998 | 0.998 | 0.540 |
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 |