6MLJ

Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) S70A 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	2018-05-02
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	58.087, 37.241, 102.036
Unit cell angles	90.00, 90.01, 90.00

Refinement procedure

Resolution	38.340 - 1.600
R-factor	0.1923
Rwork	0.192
R-free	0.22360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1laf
RMSD bond length	0.012
RMSD bond angle	1.909
Data reduction software	HKL-3000 (R)
Data scaling software	HKL-3000 (R)
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.340	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.101	0.259
Number of reflections	58580	5747
<I/σ(I)>	18.3	6.8
Completeness [%]	99.1	99
Redundancy	4.6	2.8
CC(1/2)	0.991	0.939

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