1VIE

STRUCTURE OF DIHYDROFOLATE REDUCTASE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	277
Detector technology	AREA DETECTOR
Collection date	1991-10-15
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	I 41 2 2
Unit cell lengths	68.740, 68.740, 52.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.700
R-factor	0.192
Rwork	0.192
Structure solution method	MIR
RMSD bond length	0.016
RMSD bond angle	16.800 *
Data reduction software	UCSD
Data scaling software	UCSD
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.036 *
Number of reflections	7060
<I/σ(I)>	13	3
Completeness [%]	98.0	97
Redundancy	4	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	4 *	CRYSTALS WERE GROWN FROM HANGING- DROPS CONTAINING PROTEIN AT A FINAL CONCENTRATION OF ABOUT 15 MG/ML IN 100 MM TRIS-HCL BUFFER AT PH 7.5 AND 25% 2-METHYL-2,4-PENTANEDIOL (MPD). DROPS WERE EQUILIBRATED AGAINST A RESERVOIR CONTAINING 100 MM KH2PO4 BUFFER AT PH 6.8 AND 50% MPD., vapor diffusion - hanging drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop	Tris-HCl	100 (mM)
3	1	drop	MPD	25 (%)
4	1	reservoir	potassium phosphate	100 (mM)
5	1	reservoir	MPD	50 (%)