9HDW

Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with the product UMP at 0.83 Angstroms resolution

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	2023-08-25
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.6888
Spacegroup name	C 2 2 21
Unit cell lengths	78.830, 116.560, 61.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.960 - 0.830
R-factor	0.1085
Rwork	0.108
R-free	0.11870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.174
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]	44.960	0.860
High resolution limit [Å]	0.830	0.830
Rmeas	0.046
Number of reflections	265368	25474
<I/σ(I)>	22.95
Completeness [%]	99.3
Redundancy	12.4
CC(1/2)	0.999	0.485

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