1RX9

DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	277
Detector technology	AREA DETECTOR
Collection date	1995-07-25
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 21 21 21
Unit cell lengths	34.409, 45.512, 99.199
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.184 *
Rwork	0.184
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1rx1
RMSD bond length	0.021
RMSD bond angle	24.000 *
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	2.046
High resolution limit [Å]	1.900	1.900
Rmerge	0.129 *	0.137 *
Total number of observations	37929 *
Number of reflections	11575
<I/σ(I)>	9.1	2
Completeness [%]	90.0	67
Redundancy	3.3	1.2

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	10 (mM)
2	1	reservoir	PEG6000	15 (%(w/v))
3	1	reservoir		300 (mM)
4	1	reservoir	imidazole	100 (mM)