1RA2

DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1994-12-29
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	C 1 2 1
Unit cell lengths	74.261, 59.910, 38.957
Unit cell angles	90.00, 107.63, 90.00

Refinement procedure

Resolution	20.000 - 1.600
Rwork	0.171
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1ra3
RMSD bond length	0.022
RMSD bond angle	3.000
Data reduction software	UCSD
Data scaling software	UCSD
Phasing software	TNT
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.720
High resolution limit [Å]	1.600	1.600
Rmerge	0.042 *
Total number of observations	63457 *
Number of reflections	20384
<I/σ(I)>	14.5	2.4
Completeness [%]	95.0	88.9
Redundancy	3.1	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7		macroseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	ecDHFR-FOX-NADP+
2	1	drop	imidazole	20 (mM)
3	1	reservoir	PEG6000	32 (%(w/v))
4	1	reservoir		10 (mM)