5MPQ

Bulgecin A: The key to a broad-spectrum inhibitor that targets lytic transglycosylases

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	65.834, 71.561, 121.123
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.840 - 1.780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4YIM
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.840
High resolution limit [Å]	1.780	1.780
Number of reflections	54379
<I/σ(I)>	4.46
Completeness [%]	98.0
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	1.5-2.0 M Ammonium sulfate, 0.1 MES buffer pH 6.5 or 1.5-2.0 M Ammonium sulfate, 0.1 M 2% (v/v) PEG 400 0.1 M Hepes pH. 7.5