7RAG

Structure of the CwlD amidase from Clostridioides difficile in complex with the GerS lipoprotein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9794
Spacegroup name	P 65 2 2
Unit cell lengths	105.185, 105.185, 154.771
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.550 - 2.400
R-factor	0.2076
Rwork	0.203
R-free	0.24900
Structure solution method	MIR
Data reduction software	PROTEUM PLUS (V3)
Data scaling software	PROTEUM PLUS (V3)
Phasing software	SHARP (2.8.10)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.000	45.500	2.490
High resolution limit [Å]	2.400	5.170	2.400
Rmerge	0.109	0.048	2.205
Rmeas	0.115	0.051	2.329
Rpim	0.036	0.017	0.745
Number of reflections	37392	3748	3687
<I/σ(I)>	10.7	24.9	1.1
Completeness [%]	99.9	99.6	98.9
Redundancy	10.2		9.7
CC(1/2)	0.999	0.999	0.406

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	12-18 % PEG 3350, 5 % glycerol, 0.25 M ammonium nitrate, 50 mM BisTris pH 7.5. 1:1 ratio of reservoir to 30 mg/ml complex