6MLP

Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) Y14A 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	2018-05-09
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	36.990, 57.219, 101.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.064 - 1.485
R-factor	0.1573
Rwork	0.156
R-free	0.18220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lag
RMSD bond length	0.006
RMSD bond angle	1.028
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	1.510
High resolution limit [Å]	1.480	1.480
Rmerge	0.109	0.719
Number of reflections	70935	3362
<I/σ(I)>	24.7	2.5
Completeness [%]	99.5	98.8
Redundancy	9.8	5.6
CC(1/2)		0.673

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