1GT8

DIHYDROPYRIMIDINE DEHYDROGENASE (DPD) FROM PIG, TERNARY COMPLEX WITH NADPH AND URACIL-4-ACETIC ACID

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2000-12-12
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	82.030, 159.530, 166.020
Unit cell angles	90.00, 97.16, 90.00

Refinement procedure

Resolution	29.750 - 3.300
R-factor	0.217 *
Rwork	0.214
R-free	0.27300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	DIHYDROPYRIMIDINE DEHYDROGENASE TERNARY COMPLEX WITH 5-IODOURACIL AND NADPH PH 7.5
RMSD bond length	0.011
RMSD bond angle	1.480 *
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.360
High resolution limit [Å]	3.300	3.300
Rmerge	0.098 *	0.463
Number of reflections	62722
<I/σ(I)>	9.8	2.6
Completeness [%]	98.3	92.9
Redundancy	3.5	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	4.7 *	293 *	Dobritzsch, D., (2001) Acta Crystallogr., 57, 153. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	17-22 (%(w/v))
2	1	reservoir	dithiothreitol	10 (mM)
3	1	reservoir	sodium citrate	100 (mM)	pH4.7
4	1	drop	DPD	4.5 (mg/ml)