9HOM

Variant H283N of Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with the product UMP and carbon dioxide at 1.1 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	2021-08-17
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.6888
Spacegroup name	C 2 2 21
Unit cell lengths	76.960, 115.960, 62.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.620 - 1.100
R-factor	0.1298
Rwork	0.129
R-free	0.14730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.121
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]	44.620	1.139
High resolution limit [Å]	1.100	1.100
Rmeas	0.070
Number of reflections	112399	11139
<I/σ(I)>	19.77
Completeness [%]	99.9
Redundancy	13.5
CC(1/2)	1.000	0.546

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