8RHF

Lytic Transglycosylase MltD of Pseudomonas aeruginosa bound to the Natural Product Bulgecin A, with two LysM domains

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	46.753, 116.527, 121.101
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.620 - 1.950
R-factor	0.18782
Rwork	0.186
R-free	0.22832
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.394
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.620	2.000
High resolution limit [Å]	1.950	1.950
Number of reflections	52231	2611
<I/σ(I)>	12.2	1.476
Completeness [%]	83.0
Redundancy	12.47
CC(1/2)	0.997	0.552

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	0.1 M MES pH 6.5, 25% w/v PEG 550 MME, and 10 mM zinc sulfate