9HOY

Variant P417G of Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with the product UMP at 1.2 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	C 2 2 21
Unit cell lengths	76.780, 119.300, 61.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.670 - 1.200
R-factor	0.1331
Rwork	0.132
R-free	0.14980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.097
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]	30.670	1.243
High resolution limit [Å]	1.200	1.200
Rmeas	0.087
Number of reflections	88702	8755
<I/σ(I)>	15.34
Completeness [%]	99.9
Redundancy	13.3
CC(1/2)	0.999	0.741

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