7TVG

Crystal Structure of SHOC2 to a resolution of 2.4 Angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979110
Spacegroup name	P 32
Unit cell lengths	77.567, 77.567, 83.015
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.310 - 2.400
R-factor	0.2189
Rwork	0.216
R-free	0.26710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	XXXX
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.510	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.036	1.090
Rpim	0.024	0.721
Number of reflections	21840	2289
<I/σ(I)>	19.8	1.7
Completeness [%]	99.9
Redundancy	6.2
CC(1/2)	1.000	0.581

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	1.5M ammonium sulfate, 0.1M sodium citrate pH 5.0