8RHE

Lytic Transglycosylase MltD of Pseudomonas aeruginosa bound to the Natural Product Bulgecin A

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	2022-03-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	45.224, 113.408, 116.858
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.180 - 1.950
Rwork	0.191
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.051
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]	42.180	1.990
High resolution limit [Å]	1.950	1.950
Number of reflections	49604	2480
<I/σ(I)>	11.4	1.264
Completeness [%]	89.8
Redundancy	6
CC(1/2)	0.999	0.471

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