1GTE

DIHYDROPYRIMIDINE DEHYDROGENASE (DPD) FROM PIG, BINARY COMPLEX WITH 5-IODOURACIL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-02-26
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	81.710, 158.370, 162.330
Unit cell angles	90.00, 95.84, 90.00

Refinement procedure

Resolution	24.980 - 1.650
R-factor	0.181
Rwork	0.181
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	DIHYDROPYRIMIDINE DEHYDROGENASE NON-LIGANDED FORM
RMSD bond length	0.009
RMSD bond angle	1.380 *
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]	25.000 *	1.740
High resolution limit [Å]	1.650	1.650
Rmerge	0.047	0.238
Number of reflections	481684 *
<I/σ(I)>	15	4.3
Completeness [%]	98.1	94.3
Redundancy	3.2	2.7

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)