9HDS

Variant T321N of Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with the product UMP and the nucleotide TMP at 0.86 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	2020-10-22
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.7293
Spacegroup name	C 2 2 21
Unit cell lengths	85.640, 117.320, 60.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.430 - 0.860
R-factor	0.1274
Rwork	0.127
R-free	0.13510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.171
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]	30.430	0.891
High resolution limit [Å]	0.860	0.860
Rmeas	0.059
Number of reflections	251072	21443
<I/σ(I)>	19.01
Completeness [%]	97.3
Redundancy	11.9
CC(1/2)	0.998	0.448

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