6LRG

Crystal Structure of the Ternary Complex of AgrE with Ornithine and NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	CCD
Collection date	2019-10-30
Detector	ADSC QUANTUM 270
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	186.895, 201.141, 99.436
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.732 - 2.412
R-factor	0.193120163194
Rwork	0.191
R-free	0.25097
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lrf
RMSD bond length	0.009
RMSD bond angle	1.176
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	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	71345	7051
<I/σ(I)>	9.77
Completeness [%]	99.0
Redundancy	5.8
CC(1/2)	0.967	0.535

Crystallization Conditions

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