9SZL

PaMurU in complex with Ca2+ and UDPNAM (uridine diphosphate N-acetyl muramic acid)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-07-17
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9677
Spacegroup name	P 1
Unit cell lengths	51.352, 51.407, 72.652
Unit cell angles	90.69, 90.71, 102.55

Refinement procedure

Resolution	50.169 - 2.090
Rwork	0.199
R-free	0.24920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.828
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]	50.170	2.150
High resolution limit [Å]	2.090	2.090
Rmerge	0.112	0.629
Number of reflections	39760	3083
<I/σ(I)>	7.7	2.5
Completeness [%]	92.5	90.7
Redundancy	3.8
CC(1/2)	0.992	0.706

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