9SMV

N-acetylmuramate alpha-1-phosphate uridylyltransferase (MurU) in complex with UTP/Mg

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	2025-04-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 1
Unit cell lengths	51.494, 51.558, 72.721
Unit cell angles	90.47, 90.57, 102.36

Refinement procedure

Resolution	41.643 - 1.600
Rwork	0.183
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.701
Data reduction software	XDS (1.20)
Data scaling software	Aimless (0.7.15)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.643	1.630
High resolution limit [Å]	1.600	1.600
Number of reflections	91656	4459
<I/σ(I)>	9
Completeness [%]	95.0	94
Redundancy	3.5
CC(1/2)	0.997	0.510

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	HEPES 0.1M pH=7.5, 0.2M NaCl 25% PEG3350