6ML9

Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) D30A 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	2018-04-19
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	37.179, 57.766, 101.444
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.114 - 1.687
R-factor	0.138
Rwork	0.135
R-free	0.17190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1laf
RMSD bond length	0.010
RMSD bond angle	1.201
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]	1.680	1.680
Rmerge	0.089	0.418
Number of reflections	25298	2382
<I/σ(I)>	38.3	7.1
Completeness [%]	98.6	96
Redundancy	8	4.3
CC(1/2)		0.857

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 30% w/v Polyethylene glycol 8,000