6QEQ

PcfF from Enterococcus faecalis 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	2018-02-19
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967700
Spacegroup name	P 1 21 1
Unit cell lengths	48.848, 61.482, 89.117
Unit cell angles	90.00, 100.97, 90.00

Refinement procedure

Resolution	37.813 - 1.900
R-factor	0.2029
Rwork	0.202
R-free	0.24770
Structure solution method	SAD
RMSD bond length	0.019
RMSD bond angle	1.364
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.813	37.813	1.860
High resolution limit [Å]	1.760	5.240	1.760
Rmerge	0.057	0.030	2.630
Rmeas	0.067	0.036	3.137
Total number of observations	361156
Number of reflections	99328	3766	15117
<I/σ(I)>	9.73	39.62	0.31
Completeness [%]	97.8	98.9	91.6
Redundancy	3.636	3.788	3.364
CC(1/2)	0.999	0.998	0.136

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2 M Lithium sulphate, 0.1 M Bis-Tris pH 6.5, 25% (w/v) PEG 3350