1DDS

MOLECULE: DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH METHOTREXATE

Experimental procedure

Detector technology	DIFFRACTOMETER
Collection date	1993-12-01
Detector	RIGAKU AFC-6R
Spacegroup name	P 61
Unit cell lengths	93.181, 93.185, 73.886
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.200
R-factor	0.172 *
Rwork	0.177
R-free	0.17100 *
RMSD bond length	0.013
RMSD bond angle	1.920
Data reduction software	TEXSAN
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.200
Rmerge	0.090 *
Number of reflections	11006 *
Completeness [%]	100.0
Redundancy	1

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	0.5 (M)
2	1	drop	calcium acetate	0.5 (M)
3	1	reservoir	Tris	0.1 (M)
4	1	reservoir	ethanol	6.5 (%(v/v))