1RC4

DIHYDROFOLATE REDUCTASE COMPLEXED WITH 5,10-DIDEAZATETRAHYDROFOLATE 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	1993-01-27
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 21 21 21
Unit cell lengths	34.843, 59.059, 81.007
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.179 *
Rwork	0.179
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	6dfr
RMSD bond length	0.019
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]	1.900
Rmerge	0.052 *
Total number of observations	38211 *
Number of reflections	14235
Completeness [%]	93.0
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	macro seeding *	7.2		pH 7.2

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	imidazole	20 (mM)
2	1	reservoir	PEG6000	25 (%(w/v))
3	1	reservoir		50 (mM)
4	1	reservoir	imidazole	60 (mM)