6LRF

Crystal structure of unliganded AgrE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2019-07-15
Detector	ADSC QUANTUM 270
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	187.647, 201.726, 99.593
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.592 - 2.055
R-factor	0.208183254555
Rwork	0.208
R-free	0.24641
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.104
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.050	2.050
Number of reflections	114936	10839
<I/σ(I)>	12.24
Completeness [%]	98.2
Redundancy	6.6
CC(1/2)	0.989	0.437

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295.15	sodium acetate, sodium citrate (pH5.5), PEG4000, glycerol, TCEP