7SJY

Crystal structure of Clostridium thermocellum RsgI9 S1C-NTF2 bi-domain

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	2020-02-28
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97903
Spacegroup name	P 1 21 1
Unit cell lengths	63.630, 78.060, 81.210
Unit cell angles	90.00, 112.97, 90.00

Refinement procedure

Resolution	74.770 - 2.000
R-factor	0.2126
Rwork	0.210
R-free	0.23410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b6l
RMSD bond length	0.008
RMSD bond angle	0.950
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.3)
Refinement software	BUSTER

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.770	74.770	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.049	0.024	0.618
Rmeas	0.055	0.027	0.695
Total number of observations	246720
Number of reflections	48797	590	3594
<I/σ(I)>	16.51	46.47	2.6
Completeness [%]	98.4	98.5	98.2
Redundancy	5.056	5.085	4.863
CC(1/2)	0.999	0.999	0.839

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	10% PEG-3350, 20 mM HEPES, 2 mM DTT