6MLI

Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) R77A mutant from Salmonella typhimurium complexed with histidine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-18
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	37.199, 58.850, 115.282
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.179 - 1.883
R-factor	0.1683
Rwork	0.164
R-free	0.21340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lag
RMSD bond length	0.007
RMSD bond angle	0.983
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	1.910
High resolution limit [Å]	1.880	1.880
Rmerge	0.106	0.630
Number of reflections	40663	2011
<I/σ(I)>	26.9	2.3
Completeness [%]	99.4	94.9
Redundancy	6.5	3.8
CC(1/2)		0.667

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