1RX3

DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH METHOTREXATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED 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	34.360, 45.511, 98.691
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
Rwork	0.156
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	DHFR-FOLATE-NADP COMPLEX
RMSD bond length	0.020
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]	2.200
Rmerge	0.087 *
Total number of observations	35193 *
Number of reflections	8086
Completeness [%]	97.0
Redundancy	4.4

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-MTX-NADPH
2	1	drop	imidazole	20 (mM)
3	1	reservoir	PEG6000	23 (%(w/v))
4	1	reservoir		300 (mM)
5	1	reservoir	imidazole	20 (mM)