9HW8

Variant H343A of Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with the product UMP

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	2024-05-08
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	71.120, 61.860, 70.230
Unit cell angles	90.00, 114.94, 90.00

Refinement procedure

Resolution	59.580 - 1.500
R-factor	0.1871
Rwork	0.186
R-free	0.21710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.575
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]	59.580	1.554
High resolution limit [Å]	1.500	1.500
Rmeas	0.039
Number of reflections	86537	8649
<I/σ(I)>	15.48
Completeness [%]	96.7
Redundancy	3.4
CC(1/2)	0.999	0.717

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