8S4S

PrgE from plasmid pCF10

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-13
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 21 21 21
Unit cell lengths	58.175, 58.170, 87.099
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.377 - 2.700
Rwork	0.234
R-free	0.27770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.670
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.20.1-4487)
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.380	2.560
High resolution limit [Å]	2.515	2.515
Rmeas	0.139	1.718
Number of reflections	10486	537
<I/σ(I)>	21.4	2.39
Completeness [%]	99.6	100
Redundancy	33.1	35.04
CC(1/2)	0.999	0.852

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M LiSO4, 0.1 M K Phos Cit pH 4.2, 20 %w/v PEG 1K