9HDY

Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with 2'-Thiouridine-5'-monophosphate (USP)

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	2024-06-07
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.6888
Spacegroup name	C 2 2 21
Unit cell lengths	77.830, 117.010, 62.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.630 - 1.600
R-factor	0.2223
Rwork	0.221
R-free	0.24210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	0.971
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]	42.630	1.657
High resolution limit [Å]	1.600	1.600
Rmeas	0.119
Number of reflections	37800	3716
<I/σ(I)>	10.44
Completeness [%]	96.3
Redundancy	7.2
CC(1/2)	0.998	0.561

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