9HOT

Variant K281R of Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in resting state at 1.05 Angstrom 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	2022-05-02
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.6888
Spacegroup name	C 2 2 21
Unit cell lengths	77.060, 117.690, 61.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.700 - 1.050
R-factor	0.1288
Rwork	0.128
R-free	0.14540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.186
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]	32.700	1.088
High resolution limit [Å]	1.050	1.050
Rmeas	0.071
Number of reflections	130516	12932
<I/σ(I)>	15.91
Completeness [%]	99.9
Redundancy	13.6
CC(1/2)	0.999	0.554

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