6MX2

Crystal Structure of ClpP1 from Clostridium difficile 630.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.12
Spacegroup name	P 1
Unit cell lengths	97.328, 97.372, 106.494
Unit cell angles	113.15, 104.56, 103.21

Refinement procedure

Resolution	34.898 - 2.500
R-factor	0.1954
Rwork	0.193
R-free	0.24410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qwd
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	2.540
High resolution limit [Å]	2.500	6.770	2.500
Rmerge	0.218	0.140	0.582
Rmeas	0.248	0.159	0.662
Rpim	0.118	0.074	0.311
Total number of observations	460705
Number of reflections	109969	5569	5356
<I/σ(I)>	3.3
Completeness [%]	98.3	99.5	96.6
Redundancy	4.2	4.3	4.3
CC(1/2)		0.973	0.726

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	293	2.4 M Sodium Malonate