6LWZ

Crystal structure of Laterosporulin10, bacteriocin produced by Brevibacillus sp. strain SKDU10

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	2017-06-06
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	22.280, 29.340, 32.150
Unit cell angles	110.62, 89.99, 104.94

Refinement procedure

Resolution	29.940 - 2.200
R-factor	0.2237
Rwork	0.224
R-free	0.25790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ozk
RMSD bond length	0.021
RMSD bond angle	2.184
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0218)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.940	26.399	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.062	0.493
Rmeas	0.141	0.082	0.628
Rpim	0.087	0.053	0.384
Total number of observations		278	1191
Number of reflections	3487	116	473
<I/σ(I)>	6.5	14.6	2.1
Completeness [%]	94.1	97.1	90.3
Redundancy	2.5	2.4	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1 M calcium chloride, 0.1 M sodium cacodylate pH 5.5, 12 % PEG w/v 8000 and 3 % w/v Trimethylamine N-oxide dihydrate