8WQ8

Structure of Saccharolobus solfataricus SegC (SSO0033) protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 07A
Synchrotron site	NSRRC
Beamline	TPS 07A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-11
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97625
Spacegroup name	P 43 21 2
Unit cell lengths	156.942, 156.942, 126.981
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.430 - 2.800
R-factor	0.1832
Rwork	0.181
R-free	0.21480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.982
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.900
High resolution limit [Å]	2.800	6.020	2.800
Rmerge	0.103	0.055	0.767
Rmeas	0.112	0.061	0.833
Rpim	0.044	0.025	0.321
Total number of observations	253331
Number of reflections	39646	4207	3892
<I/σ(I)>	8.7
Completeness [%]	99.9	99.5	100
Redundancy	6.4	5.7	6.6
CC(1/2)	0.988	0.995	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	Tris-HCl pH 8.5 and potassium thiocyanate.