6MLA

Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) D161A 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	2018-04-10
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	37.330, 57.790, 101.791
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.048 - 1.582
R-factor	0.185
Rwork	0.183
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1laf
RMSD bond length	0.006
RMSD bond angle	0.957
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	1.610
High resolution limit [Å]	1.580	1.580
Rmerge	0.087	0.630
Number of reflections	60426	2962
<I/σ(I)>	46.5	2.9
Completeness [%]	99.5	95.3
Redundancy	10.4	5.2
CC(1/2)		0.648

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291.15	0.1 M Acetato de sodio trihidratado. 0.05 M Cacodilato de sodio trihidratado, pH: 6.5. 15% w/v Polietilenglicol 8000