9HOB

Variant D312A 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	2024-02-29
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.9763
Spacegroup name	C 2 2 21
Unit cell lengths	77.160, 116.830, 61.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.510 - 1.400
R-factor	0.1795
Rwork	0.178
R-free	0.20090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.126
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]	42.510	1.450
High resolution limit [Å]	1.400	1.400
Rmeas	0.122
Number of reflections	53996	5249
<I/σ(I)>	8.59
Completeness [%]	96.8
Redundancy	7.2
CC(1/2)	0.996	0.683

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