1GTH

DIHYDROPYRIMIDINE DEHYDROGENASE (DPD) FROM PIG, TERNARY COMPLEX WITH NADPH AND 5-IODOURACIL

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	2000-10-09
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	82.210, 159.690, 167.590
Unit cell angles	90.00, 97.11, 90.00

Refinement procedure

Resolution	25.000 - 2.250
R-factor	0.177
Rwork	0.177
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	DIHYDROPYRIMIDINE DEHYDROGENASE UNCOMPLEXED
RMSD bond length	0.009
RMSD bond angle	1.370 *
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	2.370
High resolution limit [Å]	2.250	2.250
Rmerge	0.064	0.250
Number of reflections	199249 *
<I/σ(I)>	14.3	5.2
Completeness [%]	98.3	97.4
Redundancy	3.6	3.4

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)