1RX8

DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE AND 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1995-08
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 21 21 21
Unit cell lengths	34.430, 45.035, 99.259
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.800
R-factor	0.144 *
Rwork	0.144
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	DHFR-FOLATE COMPLEX
RMSD bond length	0.019
RMSD bond angle	3.010
Data reduction software	UCSD
Data scaling software	UCSD
Phasing software	TNT
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	3.000
High resolution limit [Å]	2.800	2.800
Rmerge	0.097 *	0.234 *
Total number of observations	12117 *
Number of reflections	3825
<I/σ(I)>	5.9	1.8
Completeness [%]	92.0	95
Redundancy	3.2	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	macro seeding *	7		pH 7.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	imidazole	20 (mM)
2	1	reservoir	PEG6000	30 (%(w/v))
3	1	reservoir		10 (mM)