9HOX

Variant K314R 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	2021-10-05
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.6888
Spacegroup name	P 1 21 1
Unit cell lengths	70.350, 62.050, 71.030
Unit cell angles	90.00, 114.07, 90.00

Refinement procedure

Resolution	42.870 - 2.000
R-factor	0.2146
Rwork	0.213
R-free	0.24750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.467
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]	42.870	2.071
High resolution limit [Å]	2.000	2.000
Number of reflections	37553	3722
<I/σ(I)>	9.73
Completeness [%]	98.7
Redundancy	6.9
CC(1/2)	0.998	0.504

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