6MLN

Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) S72A mutant from Salmonella typhimurium complexed with arginine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-16
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	36.804, 59.050, 115.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.225 - 1.721
R-factor	0.1462
Rwork	0.144
R-free	0.17470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1laf
RMSD bond length	0.006
RMSD bond angle	0.999
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.750
High resolution limit [Å]	1.720	1.720
Rmerge	0.065	0.385
Number of reflections	54116	2679
<I/σ(I)>	44.1	6
Completeness [%]	100.0	99.8
Redundancy	9.5	5.7
CC(1/2)		0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291.15	0.2 M Sodium acetate trihydrate. 0.1 M Sodium cacodylate trihydrate pH 6.5 30% w/v Polyethylene glycol 8,000