1RA1

DIHYDROFOLATE REDUCTASE COMPLEXED WITH NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED FORM)

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1992-07
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	C 1 2 1
Unit cell lengths	74.890, 59.230, 38.900
Unit cell angles	90.00, 106.27, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.147 *
Rwork	0.147
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1ra9
RMSD bond length	0.013 *
RMSD bond angle	2.900 *
Data reduction software	UCSD
Data scaling software	UCSD
Phasing software	TNT
Refinement software	TNT

Data quality characteristics

	Overall
Low resolution limit [Å]	100.000
High resolution limit [Å]	1.900
Rmerge	0.035 *
Total number of observations	30974 *
Number of reflections	12031
Completeness [%]	96.0
Redundancy	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	macro seeding *	7		pH 7.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	ecDHFR-NADPH
2	1	drop	imidazole	20 (mM)
3	1	reservoir	PEG6000	30 (%(w/v))
4	1	reservoir		11 (mM)
5	1	reservoir	potassium hydrogen phthalate	18 (mM)