8HDJ

Periplasmic domain of RsgI2 of Clostridium thermocellum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-17
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	75.090, 101.530, 86.360
Unit cell angles	90.00, 92.93, 90.00

Refinement procedure

Resolution	24.350 - 1.850
R-factor	0.2222
Rwork	0.219
R-free	0.23780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AFDB:A3DC27F1
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.4)
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.840	24.840	1.890
High resolution limit [Å]	1.850	9.060	1.850
Rmerge	0.074	0.099	0.266
Rmeas	0.089	0.120	0.333
Rpim	0.049	0.067	0.197
Total number of observations	169195	1074	9078
Number of reflections	54750	373	3371
<I/σ(I)>	9.3	13.9	3.4
Completeness [%]	99.4	76.1	99.6
Redundancy	3.1	2.9	2.7
CC(1/2)	0.993	0.963	0.836

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M Lithium sulfate monohydrate, pH 6.0, 20% w/v Polyethylene glycol 3350