8WLW

Crystal structure of DelP123_Msd in complex with 5-azauracil

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	46.750, 85.300, 76.460
Unit cell angles	90.00, 102.49, 90.00

Refinement procedure

Resolution	74.650 - 1.538
Rwork	0.176
R-free	0.20870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.611
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.660	1.578
High resolution limit [Å]	1.538	1.538
Number of reflections	86243	6110
<I/σ(I)>	11.69
Completeness [%]	99.2
Redundancy	5.6
CC(1/2)	0.990	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1M Bis-Tris pH 6.4, 20% PEG 1500