9SQG

PaMurU in complex with Mn2+ and UDPNAM (uridine diphosphate N-acetyl muramic acid)

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	2025-06-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 1
Unit cell lengths	51.776, 51.779, 72.543
Unit cell angles	90.62, 90.67, 102.60

Refinement procedure

Resolution	72.530 - 1.850
Rwork	0.177
R-free	0.21490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.647
Data reduction software	autoPROC
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]	72.530	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.069	0.737
Number of reflections	60416	3565
<I/σ(I)>	9.5	1.5
Completeness [%]	96.3	93.2
Redundancy	3.5	3.2
CC(1/2)	0.997	0.648

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	HEPES 0.1M pH=7.5, 0.2M NaCl 25% PEG335