7ACZ

RdeltaD2 H/L (LMW SLP/HMW SLP) complex from C. difficile SlpA (R20291 strain)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 1
Unit cell lengths	52.745, 80.352, 81.920
Unit cell angles	97.03, 90.22, 90.22

Refinement procedure

Resolution	52.740 - 3.500
R-factor	0.2557
Rwork	0.254
R-free	0.27860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Dep D_19292110995
RMSD bond length	0.003
RMSD bond angle	0.595
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.740	3.630
High resolution limit [Å]	3.500	3.500
Rmerge	0.510	0.904
Rmeas	0.607	1.069
Rpim	0.324	0.563
Number of reflections	16691	1620
<I/σ(I)>	10	2.47
Completeness [%]	98.8	97.03
Redundancy	3.4	3.5
CC(1/2)	0.616	0.438

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293.15	0.1 M MES pH 6.0 0.875 M Lithium chloride 11.5% PEG 6,000 10% Glycerol