9HP0

Variant R451K 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	2021-11-30
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.6888
Spacegroup name	P 1 21 1
Unit cell lengths	70.140, 61.830, 71.390
Unit cell angles	90.00, 115.04, 90.00

Refinement procedure

Resolution	35.540 - 1.440
R-factor	0.1709
Rwork	0.170
R-free	0.19100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.646
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]	35.540	1.491
High resolution limit [Å]	1.440	1.440
Rmeas	0.044
Number of reflections	99073	9908
<I/σ(I)>	19.67
Completeness [%]	98.9
Redundancy	7
CC(1/2)	0.999	0.768

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