7QE1

Crystal structure of apo SN243

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.999
Spacegroup name	P 1
Unit cell lengths	53.280, 90.760, 103.290
Unit cell angles	67.22, 84.03, 76.91

Refinement procedure

Resolution	51.887 - 1.950
R-factor	0.2428
Rwork	0.240
R-free	0.29040
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	51.890	51.890	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.073	0.043	2.886
Rmeas	0.080	0.047	3.172
Rpim	0.032	0.018	1.300
Total number of observations	735719	8364	51412
Number of reflections	123601	1362	8945
<I/σ(I)>	9	27.4	0.6
Completeness [%]	97.6	96.5	95.9
Redundancy	6	6.1	5.7
CC(1/2)	0.998	0.997	0.371

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	0.1 M MES pH 6.5, 0.01 M ZnSO4 and 25% PEG MME 550