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