1RA3

DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE 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	1995-02-09
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	C 1 2 1
Unit cell lengths	74.860, 60.210, 38.940
Unit cell angles	90.00, 107.91, 90.00

Refinement procedure

Resolution	20.000 - 1.800
Rwork	0.170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rh3
RMSD bond length	0.020 *
RMSD bond angle	3.000 *
Data reduction software	UCSD
Data scaling software	UCSD
Phasing software	MERLOT
Refinement software	TNT (5D)

Data quality characteristics

	Overall
Low resolution limit [Å]	100.000
High resolution limit [Å]	1.800
Rmerge	0.040 *
Total number of observations	32985 *
Number of reflections	13431
Completeness [%]	95.0
Redundancy	2.5

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-MTX-NADP+
2	1	drop	imidazole	10 (mM)
3	1	reservoir	PEG6000	30 (%(w/v))
4	1	reservoir		30 (mM)
5	1	reservoir		11 (mM)