1RA8

DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE AND 2-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1993-01-27
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	C 1 2 1
Unit cell lengths	74.270, 59.860, 38.920
Unit cell angles	90.00, 107.38, 90.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.151 *
Rwork	0.151
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1ra2
RMSD bond length	0.022
RMSD bond angle	3.100
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	2.030
High resolution limit [Å]	1.800	1.840
Rmerge	0.038 *	0.149 *
Total number of observations	32887 *
Number of reflections	10657
<I/σ(I)>	14	2.7
Completeness [%]	72.0	58
Redundancy	3.1	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	macro seeding *	7		pH 7.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	imidazole	20 (mM)
2	1	reservoir	PEG6000	16 (%(w/v))
3	1	reservoir		300 (mM)
4	1	reservoir	imidazole	20 (mM)