9HDV

Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with a new inhibitor 1-(beta-D-ribofuranosyl) cyanuric acid-5'-monophosphate (YMP)

This is a non-PDB format compatible entry.

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	2022-06-22
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.6888
Spacegroup name	C 2 2 21
Unit cell lengths	77.510, 116.330, 61.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.410 - 1.500
R-factor	0.1934
Rwork	0.192
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.165
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]	42.410	1.554
High resolution limit [Å]	1.500	1.500
Rmeas	0.112
Number of reflections	45109	4477
<I/σ(I)>	15.03	2.06
Completeness [%]	97.7
Redundancy	12.8
CC(1/2)	0.999	0.782

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