6LWY

Crystal structure of Laterosporulin3, bacteriocin produced by Brevibacillus sp. strain SKR3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-11-09
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 43 3 2
Unit cell lengths	63.460, 63.460, 63.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.639 - 2.300
R-factor	0.1915
Rwork	0.187
R-free	0.23310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ozk
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	PHENIX (1.9)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.640	36.640	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge	0.131	0.035	0.618
Rmeas	0.140	0.078	0.039
Rpim	0.037	0.021	0.012
Total number of observations		995	4492
Number of reflections	2214	97	309
<I/σ(I)>	16.6	31.9	4.5
Completeness [%]	100.0	98.9	100
Redundancy	14	10.3	14.5
CC(1/2)	0.999	1.000	0.852

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.2 M potassium bromide, 0.2 M potassium thiocyanate, 0.1 M sodium acetate, 3% w/v PGA-LM (Polyglycolic acid, 200-400 kDa) and 3% w/v PEG (Polyethylene glycol, 20 kDa), pH 5