1H7X

Dihydropyrimidine dehydrogenase (DPD) from pig, ternary complex of a mutant enzyme (C671A), NADPH and 5-fluorouracil

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-03-15
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	81.950, 159.290, 163.570
Unit cell angles	90.00, 96.04, 90.00

Refinement procedure

Resolution	25.080 - 2.010
R-factor	0.171
Rwork	0.171
R-free	0.19200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	DIHYDROPYRIMIDINE DEHYDROGENASE UNCOMPLEXED
RMSD bond length	0.009
RMSD bond angle	22.900 *
Data reduction software	DENZO
Data scaling software	SCALA
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.063 *	0.166 *
Total number of observations	1471519 *
Number of reflections	274925
<I/σ(I)>	10.4	4.4
Completeness [%]	99.0	95.8
Redundancy	2.8	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.7	20 *	100 MM SODIUM CITRATE PH 4.7, 16-20 % POLYETHYLENE GLYCOL 6000, 1 MM DTT, 1 MM NADPH, 5 MM 5FU

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	19-22 (%(w/v))
2	1	reservoir	sodium citrate	100 (mM)