9HVT

Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with 6-isopropyl-UMP

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	2019-04-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	C 2 2 21
Unit cell lengths	77.562, 116.280, 62.075
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.610 - 1.300
R-factor	0.14323
Rwork	0.142
R-free	0.17298
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.824
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.610	1.346
High resolution limit [Å]	1.300	1.300
Rmeas	0.093
Number of reflections	69057	6840
<I/σ(I)>	11.21
Completeness [%]	99.7
Redundancy	6.5
CC(1/2)	0.998	0.433

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM Tris/HCl pH 7.8, 1.6 - 1.8 M Ammonium sulfate, 10 mM Glutathion, 5% (v/v) Glycerol, 5mg/mL OMPD