9HDT

Variant T321N of Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with Deoxyuridine-5'-monophosphate (Deoxy UMP) at 1.3 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	2022-11-10
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.6888
Spacegroup name	C 2 2 21
Unit cell lengths	78.090, 116.310, 62.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.420 - 1.300
R-factor	0.1272
Rwork	0.126
R-free	0.15130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.156
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]	32.420	1.347
High resolution limit [Å]	1.300	1.300
Rmeas	0.097
Number of reflections	69652	6885
<I/σ(I)>	12.28
Completeness [%]	99.8
Redundancy	6.8
CC(1/2)	0.999	0.717

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