6MW4

Structure of pseudoprotease CspC from Clostridioides difficile

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	2017-03-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033
Spacegroup name	C 2 2 21
Unit cell lengths	88.651, 155.176, 91.675
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.837 - 1.550
R-factor	0.166
Rwork	0.164
R-free	0.18640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i0w
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.610
High resolution limit [Å]	1.550	3.340	1.550
Rmerge	0.056	0.031	0.595
Rmeas	0.067	0.037	0.716
Rpim	0.035	0.019	0.394
Total number of observations	595469
Number of reflections	177295	17812	17407
<I/σ(I)>	5.4
Completeness [%]	99.6	99.9	97.7
Redundancy	3.4	3.5	3.1
CC(1/2)		0.998	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	0.2M MES pH 6.5 with 2.5 M ammonium chloride and 0.5 M guanidinium hydrochloride mixed equal volume with 22 mg/ml protein and equilibrated over 2M sodium chloride