7Q1H

Variant D312N of Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with the substrate OMP at 1.31 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	2021-10-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.68880
Spacegroup name	C 2 2 21
Unit cell lengths	77.360, 116.318, 62.091
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.660 - 1.310
R-factor	0.1459
Rwork	0.144
R-free	0.17780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ov0
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.650	34.650	1.320
High resolution limit [Å]	1.310	10.000	1.310
Rmerge	0.058	0.022	0.998
Rmeas	0.066	0.026	1.126
Total number of observations	300507
Number of reflections	66485	161	1514
<I/σ(I)>	14.59	56.6	1.66
Completeness [%]	98.5	87.5	99.5
Redundancy	4.52	3.354	4.585
CC(1/2)	0.999	0.999	0.655

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, 5% (w/v) Glycerol