1DAJ

COMPARISON OF TERNARY COMPLEXES OF PNEUMOCYSTIS CARINII AND WILD TYPE HUMAN DIHYDROFOLATE REDUCTASE WITH COENZYME NADPH AND A NOVEL CLASSICAL ANTITUMOR FURO[2,3D]PYRIMIDINE ANTIFOLATE

Experimental procedure

Detector technology	IMAGE PLATE
Collection date	1994-07-14
Detector	RIGAKU RAXIS
Spacegroup name	P 1 21 1
Unit cell lengths	37.171, 43.094, 61.049
Unit cell angles	90.00, 94.85, 90.00

Refinement procedure

Resolution	8.000 - 2.300
R-factor	0.181 *
Rwork	0.181
RMSD bond length	0.012
RMSD bond angle	0.038
Data reduction software	R-AXIS (II)
Refinement software	PROFFT

Data quality characteristics

	Overall
Rmerge	0.070
Number of reflections	5958
Completeness [%]	65.5
Redundancy	3.09

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3.6 (mg/ml)
2	1	drop	PEG8000	10 (%(w/v))
3	1	drop	imidazole-HCl	0.1 (M)
4	1	drop	dithiothreitol	1 (mM)
5	1	reservoir	imidazole-HCl	0.1 (M)
6	1	reservoir	dithiothreitol	1 (mM)
7	1	reservoir	PEG8000	10 (%(w/v))