7LJS

Porcine Dihydropyrimidine dehydrogenase (DPD) complexed with 5-Ethynyluracil (5EU) - Open Form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2019-12-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.127
Spacegroup name	P 1 21 1
Unit cell lengths	82.031, 160.046, 164.074
Unit cell angles	90.00, 95.95, 90.00

Refinement procedure

Resolution	45.620 - 2.000
R-factor	0.1749
Rwork	0.172
R-free	0.22860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h7x
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.020
High resolution limit [Å]	1.990	1.990
Rmerge	0.172	0.869
Rmeas	0.211
Rpim	0.121	0.665
Number of reflections	255614	9241
<I/σ(I)>	5.6	1.1
Completeness [%]	90.2	66
Redundancy	2.9	2.1
CC(1/2)	0.992	0.377

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Drops were formed by mixing 3 uL of 39 uM of DPD, 1 mM 5EU, 1 mM NADPH in 25 mM HEPES, 10 mM DTT, 10% glycerol pH 7.5 with 3 uL of well solution (1 mL) containing 50-200 mM NaCl, 19% PEG 6000, 1 mM DTT pH 4.8