9HDX

Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with TMP at 1.05 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	2023-07-15
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.6888
Spacegroup name	P 1 21 1
Unit cell lengths	69.350, 61.460, 70.720
Unit cell angles	90.00, 113.02, 90.00

Refinement procedure

Resolution	42.330 - 1.050
R-factor	0.1398
Rwork	0.139
R-free	0.15580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.193
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	1.088
High resolution limit [Å]	1.050	1.050
Rmeas	0.055
Number of reflections	250469	24852
<I/σ(I)>	16.22
Completeness [%]	98.5
Redundancy	6.9
CC(1/2)	0.999	0.682

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