9SQF

PaMurU in complex with Mn2+ and UTP substrate

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	2025-05-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.7712
Spacegroup name	P 1
Unit cell lengths	51.943, 51.957, 73.117
Unit cell angles	89.89, 89.56, 77.56

Refinement procedure

Resolution	50.740 - 2.100
Rwork	0.201
R-free	0.25150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.732
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]	50.740	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.121	0.423
Number of reflections	40882	3225
<I/σ(I)>	8.3	1.3
Completeness [%]	93.8	89.9
Redundancy	3.5	3.5
CC(1/2)	0.978	0.708

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