8U0Z

CRYSTAL STRUCTURE OF THE OROTIDINE 5'-MONOPHOSPHATE DECARBOXYLASE DOMAIN OF Coffea arabica UMP SYNTHASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-10
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	50.007, 95.699, 112.205
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.849 - 1.399
R-factor	0.1591
Rwork	0.158
R-free	0.17800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.402
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.400	1.470
High resolution limit [Å]	1.399	1.399
Rmerge	0.056	0.450
Number of reflections	103974	12799
<I/σ(I)>	20.4	3
Completeness [%]	97.3	83.7
Redundancy	11.4	4.9
CC(1/2)	0.990	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1 M Hepes pH 7.5 and 20% (w/v) PEG 10000