9HON

Variant H283N of Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in resting state

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 21 21 21
Unit cell lengths	62.160, 76.520, 117.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.990 - 1.500
R-factor	0.1931
Rwork	0.192
R-free	0.21290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.825
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]	54.990	1.554
High resolution limit [Å]	1.500	1.500
Rmeas	0.098
Number of reflections	90546	8947
<I/σ(I)>	18.31
Completeness [%]	99.7
Redundancy	13.7
CC(1/2)	1.000	0.773

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