8WQN

Structure of Saccharolobus solfataricus SegC (SSO0033) protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2022-08-17
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99984
Spacegroup name	P 21 21 21
Unit cell lengths	33.910, 70.152, 71.836
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.100 - 1.800
R-factor	0.1897
Rwork	0.186
R-free	0.21980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.869
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	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.072	0.043	0.387
Rmeas	0.082	0.049	0.441
Rpim	0.038	0.023	0.208
Total number of observations	66122
Number of reflections	15953	1622	1601
<I/σ(I)>	10.6
Completeness [%]	96.3	90.4	98.8
Redundancy	4.1	4.1	4.1
CC(1/2)	0.992	0.996	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	Sodium acetate pH 4.6, calcium chloride, and MPD