1RE7

DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1995-04-20
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 21 21 21
Unit cell lengths	44.384, 60.911, 121.971
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.600
R-factor	0.178 *
Rwork	0.178
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ra2
RMSD bond length	0.020
RMSD bond angle	2.700 *
Data reduction software	UCSD
Data scaling software	UCSD
Phasing software	MERLOT
Refinement software	TNT (5D)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.800
High resolution limit [Å]	2.600	2.600
Rmerge	0.093 *
Total number of observations	35221 *
Number of reflections	9448
<I/σ(I)>	8.1	1.9
Completeness [%]	88.0	77
Redundancy	3.7	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7 *		pH 8.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
2	1	drop	imidazole	10 (mM)
3	1	reservoir	PEG6000	26 (%(w/v))
4	1	reservoir		200 (mM)
5	1	reservoir	Tris-HCl	100 (mM)