9HOJ

Variant H283A of Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with the substrate OMP and the product UMP at 1.15 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	P 1 21 1
Unit cell lengths	69.820, 62.150, 69.820
Unit cell angles	90.00, 112.64, 90.00

Refinement procedure

Resolution	32.220 - 1.150
R-factor	0.1376
Rwork	0.136
R-free	0.16180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.178
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]	32.220	1.191
High resolution limit [Å]	1.150	1.150
Rmeas	0.060
Number of reflections	191731	19003
<I/σ(I)>	12.97
Completeness [%]	98.1
Redundancy	3.5
CC(1/2)	0.999	0.405

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