1RB2

DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE 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	1992-11-28
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 1 21 1
Unit cell lengths	41.781, 75.717, 59.082
Unit cell angles	90.00, 99.03, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.198 *
Rwork	0.198
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ra2
RMSD bond length	0.019
RMSD bond angle	3.000
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	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.098 *	0.149 *
Total number of observations	72595 *
Number of reflections	20914
<I/σ(I)>	10	2.1
Completeness [%]	87.0	75
Redundancy	3.5	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	macro seeding *	8		pH 8.0

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		90 (mM)
4	1	reservoir	Tris-HCl	60 (mM)