1RX2

DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH WITH FOLATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1996
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 21 21 21
Unit cell lengths	34.321, 45.508, 98.912
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.800
Rwork	0.171
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	DHFR-FOLATE COMPLEX
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
Low resolution limit [Å]	100.000
High resolution limit [Å]	1.800
Rmerge	0.091 *
Total number of observations	64582 *
Number of reflections	14178
Completeness [%]	94.0
Redundancy	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7	4 *	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	16 (%(w/v))
4	1	reservoir		300 (mM)
5	1	reservoir	imidazole	20 (mM)