1RB3

DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1992-07-30
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 1 21 1
Unit cell lengths	41.580, 74.180, 59.180
Unit cell angles	90.00, 99.26, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.161 *
Rwork	0.161
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1rb2
RMSD bond length	0.019
RMSD bond angle	3.100
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	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.096 *	0.210 *
Total number of observations	45132 *
Number of reflections	14094
<I/σ(I)>	7.7	2.1
Completeness [%]	96.0	75
Redundancy	3.2	2.1

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	25 (%(w/v))
3	1	reservoir		50 (mM)
4	1	reservoir	imidazole	60 (mM)