9HIL

Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with Cytidine-5'-monophosphate (CMP)

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	2024-06-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.6888
Spacegroup name	P 21 21 21
Unit cell lengths	62.180, 75.590, 119.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.020 - 1.600
R-factor	0.205
Rwork	0.204
R-free	0.22950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.805
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]	48.020	1.657
High resolution limit [Å]	1.600	1.600
Rmeas	0.116
Number of reflections	74724	7393
<I/σ(I)>	14.31
Completeness [%]	98.5
Redundancy	13.1
CC(1/2)	0.999	0.756

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