8WLV

Crystal structure of P122A_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	52.670, 109.470, 64.320
Unit cell angles	90.00, 98.96, 90.00

Refinement procedure

Resolution	55.010 - 1.960
Rwork	0.190
R-free	0.22340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.450
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]	55.010	2.011
High resolution limit [Å]	1.960	1.960
Number of reflections	51013	7446
<I/σ(I)>	11.37	2.89
Completeness [%]	98.8	98.8
Redundancy	3.69
CC(1/2)	0.990	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1M Sodium malonate pH 5.6, 20% PEG 3000