9HDU

Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with XMP at 1.0 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	2022-02-27
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.68880
Spacegroup name	C 2 2 21
Unit cell lengths	77.360, 116.690, 61.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.640 - 1.000
R-factor	0.118
Rwork	0.117
R-free	0.13160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.241
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]	44.640	1.036
High resolution limit [Å]	1.000	1.000
Rmeas	0.070
Number of reflections	148627	14556
<I/σ(I)>	15.69
Completeness [%]	98.8
Redundancy	10.2
CC(1/2)	0.999	0.506

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