9HVS

Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with 6-Ethyl UMP

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	2019-09-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	C 2 2 21
Unit cell lengths	77.106, 116.523, 62.032
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.470 - 1.300
R-factor	0.153
Rwork	0.152
R-free	0.16850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.215
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]	42.470	1.346
High resolution limit [Å]	1.300	1.300
Rmeas	0.091
Number of reflections	68748	6782
<I/σ(I)>	11.96
Completeness [%]	99.8
Redundancy	6.6
CC(1/2)	0.999	0.601

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