1O84

Crystal Structure of Bacteriocin AS-48. N-decyl-beta-D-maltoside Bound.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF NONIUS
Temperature [K]	120
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 41 21 2
Unit cell lengths	76.488, 76.488, 51.517
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.800
R-factor	0.23669
Rwork	0.236
R-free	0.25600 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022 *
RMSD bond angle	2.141 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.300	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.138	0.591 *
Number of reflections	4544
<I/σ(I)>	5.1	1.3
Completeness [%]	100.0	100
Redundancy	9.1	9.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5		CRYSTALS WERE GROWN USING VAPOUR DIFFUSION TECHNIQUES FROM DROPS CONTAINING AS48 (20 MG/ML), 18 MM N-DECYL-BETA-D-MALTOSIDE AND RESERVOIR SOLUTION (0.2 M AMMONIUM SULPHATE,25 % W/V POLYETHYLENE GLYCOL 4000) IN A RATIO 4:1:5, pH 7.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)	pH7.5
3	1	reservoir	ammonium sulfate	0.2 (M)
4	1	reservoir	PEG4000	25 (%(w/v))