1DYH

ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS

Experimental procedure

Spacegroup name	P 61
Unit cell lengths	93.205, 93.205, 73.942
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	? - 1.900
R-factor	0.149
RMSD bond length	0.014
RMSD bond angle	2.930
Refinement software	TNT

Data quality characteristics

	Overall
High resolution limit [Å]	1.900 *
Rmerge	0.038 *
Number of reflections	21817 *
Completeness [%]	88.0 *
Redundancy	2.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.8 *	4 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	L-histidine hydrochloride	0.5 (M)
2	1	drop	calcium acetate	0.5 (M)
3	1	reservoir	Tris-HCl	0.1 (M)
4	1	reservoir	ethanol	15-25 (%)