6Z9K

CAP domain of Enterococcal PrgA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.078118
Spacegroup name	P 1 21 1
Unit cell lengths	83.874, 35.998, 84.854
Unit cell angles	90.00, 114.47, 90.00

Refinement procedure

Resolution	45.700 - 1.500
R-factor	0.1649
Rwork	0.163
R-free	0.20130
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.760
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.700	45.700	1.590
High resolution limit [Å]	1.500	4.480	1.500
Rmerge	0.068	0.039	0.936
Rmeas	0.076	0.043	1.065
Total number of observations	353880
Number of reflections	72114	2926	9999
<I/σ(I)>	11.55	36.85	1.26
Completeness [%]	96.6	98.6	84
Redundancy	4.907	4.743	4.398
CC(1/2)	0.999	0.998	0.424

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.02 M Na/KPO4, 0.1 M Bis-Tris propane pH 6.5, 20% PEG 3350