1RF7

STRUCTURE OF DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDROFOLATE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	277
Detector technology	AREA DETECTOR
Collection date	1995-11
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 21 21 21
Unit cell lengths	34.705, 38.917, 108.827
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.17 *
Rwork	0.170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rx7
RMSD bond length	0.018
RMSD bond angle	3.010
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	1.890
High resolution limit [Å]	1.800	1.750
Rmerge	0.048 *	0.143 *
Total number of observations	38377 *
Number of reflections	14125
<I/σ(I)>	14.9	4.21
Completeness [%]	94.0	76
Redundancy	4.5	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	macro seeding *	6.6		pH 6.6

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	imidazole	20 (mM)
2	1	reservoir	PEG6000	16 (%(w/v))
3	1	reservoir		210 (mM)
4	1	reservoir	KHP	20 (mM)