9HDZ

Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with 5-Methyluridine-5'-monophosphate (5-Methyl 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	2022-05-13
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.6888
Spacegroup name	P 1 21 1
Unit cell lengths	69.429, 61.519, 71.252
Unit cell angles	90.00, 112.11, 90.00

Refinement procedure

Resolution	42.330 - 1.790
R-factor	0.1561
Rwork	0.154
R-free	0.18640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.134
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]	42.330	1.859
High resolution limit [Å]	1.790	1.790
Number of reflections	51238	5121
<I/σ(I)>	15.8
Completeness [%]	98.0
Redundancy	3.5
CC(1/2)	0.999	0.861

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