6MKW

Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) D11A 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	2018-04-10
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	36.897, 59.016, 115.544
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.148 - 2.320
R-factor	0.1781
Rwork	0.173
R-free	0.22840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lag
RMSD bond length	0.010
RMSD bond angle	1.002
Data reduction software	HKL-3000 (R)
Data scaling software	HKL-3000 (R)
Phasing software	PHENIX ((1.14_3260))
Refinement software	PHENIX ((1.14_3260:))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.360
High resolution limit [Å]	2.320	2.320
Rmerge	0.098	0.327
Number of reflections	11213	1055
<I/σ(I)>	22.1	4.3
Completeness [%]	97.9	93.1
Redundancy	6.3	3.3
CC(1/2)	0.993	0.885

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