9SZK

PaMurU in complex with Ca2+ and UTP substrate

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)	0.96769
Spacegroup name	P 1
Unit cell lengths	51.501, 51.644, 71.851
Unit cell angles	90.90, 91.28, 102.21

Refinement procedure

Resolution	50.515 - 1.800
Rwork	0.229
R-free	0.26540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.648
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]	71.820	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.150	1.403
Number of reflections	57440	3803
<I/σ(I)>	4.9	0.8
Completeness [%]	85.6	94.6
Redundancy	3.7	3.9
CC(1/2)	0.989	0.565

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