6LRH

Crystal Structure of the Binary Complex of AgrE C264A mutant with L-arginine

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	2019-10-29
Detector	ADSC QUANTUM 270
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	186.157, 201.457, 98.916
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.458 - 2.705
R-factor	0.195140735613
Rwork	0.193
R-free	0.24451
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lrf
RMSD bond length	0.011
RMSD bond angle	1.158
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	2.800
High resolution limit [Å]	2.700	2.700
Number of reflections	50860	5040
<I/σ(I)>	7.53
Completeness [%]	99.8
Redundancy	6.6
CC(1/2)	0.941	0.529

Crystallization Conditions

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