8F5D

Architecture of the MurE-MurF ligase bacterial cell wall biosynthesis complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS SIRIUS BEAMLINE MANACA
Synchrotron site	LNLS SIRIUS
Beamline	MANACA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-04
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.978
Spacegroup name	I 2 2 2
Unit cell lengths	105.636, 111.106, 219.151
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.550 - 2.560
R-factor	0.253
Rwork	0.249
R-free	0.29240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Model from Alphafold
RMSD bond length	0.004
RMSD bond angle	0.840
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.550	2.880
High resolution limit [Å]	2.560	2.564
Rmerge	0.098	1.295
Rmeas	0.102
Rpim	0.028	0.374
Number of reflections	19997	1000
<I/σ(I)>	18.6	2.2
Completeness [%]	92.2	77.8
Redundancy	13	12.8
CC(1/2)	0.999	0.827

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.3 M ammonium sulfate, 20 % glycerol, 5 % PEG3350