9HW2

Variant Q430N of Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in resting state at 1.15 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-05
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.6888
Spacegroup name	P 1 21 1
Unit cell lengths	70.550, 62.060, 70.650
Unit cell angles	90.00, 113.89, 90.00

Refinement procedure

Resolution	42.830 - 1.150
R-factor	0.1432
Rwork	0.142
R-free	0.16270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.408
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.830	1.191
High resolution limit [Å]	1.150	1.150
Rmeas	0.050
Number of reflections	192794	19065
<I/σ(I)>	16.75
Completeness [%]	97.6
Redundancy	7
CC(1/2)	0.999	0.411

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM Tris/HCl pH 7.0, 1.7 - 1.9 M Ammonium sulfate, 10 mM Glutathion pH 8.0, 5% (w/v) Glycerol