1RA9

DIHYDROFOLATE REDUCTASE COMPLEXED WITH 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	1994-12-27
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	C 1 2 1
Unit cell lengths	74.860, 59.566, 38.914
Unit cell angles	90.00, 106.49, 90.00

Refinement procedure

Resolution	20.000 - 1.500 *
Rwork	0.169
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1ra3
RMSD bond length	0.021
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	1.610
High resolution limit [Å]	1.500 *	1.550
Rmerge	0.048 *
Total number of observations	75470 *
Number of reflections	22697
<I/σ(I)>	12.8	2
Completeness [%]	95.0	81.4
Redundancy	3.3	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-NADP+
2	1	drop	imidazole	20 (mM)
3	1	reservoir	PEG6000	30 (%(w/v))
4	1	reservoir		11 (mM)
5	1	reservoir		18 (mM)