9SQD

PaMurU in complex with their natural substrates (UTP and NAM-1P) and Mg2+ cofactor

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	51.567, 51.586, 72.725
Unit cell angles	90.63, 90.53, 102.62

Refinement procedure

Resolution	72.715 - 1.951
Rwork	0.220
R-free	0.26620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.669
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]	72.720	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.112	0.587
Number of reflections	45729	3531
<I/σ(I)>	7.4	2.3
Completeness [%]	85.9	94.1
Redundancy	3.6	3.7
CC(1/2)	0.992	0.819

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