9HO8

Variant D259A 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	2024-04-19
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.6888
Spacegroup name	P 1 21 1
Unit cell lengths	70.160, 61.754, 71.507
Unit cell angles	90.00, 113.98, 90.00

Refinement procedure

Resolution	44.470 - 1.750
R-factor	0.1799
Rwork	0.178
R-free	0.21540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.112
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]	44.470	1.814
High resolution limit [Å]	1.750	1.750
Rmeas	0.072
Number of reflections	51239	5549
<I/σ(I)>	16.22
Completeness [%]	90.9
Redundancy	6.9
CC(1/2)	0.999	0.852

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	100 mM Tris/HCl pH 7.0, 1.7 - 1.9 M Ammonium sulfate, 10 mM Glutathion pH 8.0, 5% (w/v) Glycerol