1RX5

DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH 5,10-DIDEAZATETRAHYDROFOLATE

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	34.808, 44.761, 100.826
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.300
Rwork	0.174
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	DHFR-FOLATE COMPLEX
RMSD bond length	0.210 *
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]	2.300
Rmerge	0.075 *
Total number of observations	21289 *
Number of reflections	6930
Completeness [%]	93.0
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.4	4 *	macroseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	ecDHFR-ddTHF-NADP+
2	1	drop	imidazole	20 (mM)
3	1	reservoir	PEG6000	16 (%(w/v))
4	1	reservoir		300 (mM)
5	1	reservoir	imidazole	20 (mM)