1D1G

DIHYDROFOLATE REDUCTASE FROM THERMOTOGA MARITIMA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	291
Detector technology	IMAGE PLATE
Collection date	1998-02-04
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	35.525, 51.419, 52.961
Unit cell angles	94.50, 95.31, 110.15

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.196
Rwork	0.196
R-free	0.24200
RMSD bond length	0.010
RMSD bond angle	1.600
Data reduction software	MOSFLM
Data scaling software	CCP4 ((AGROVATA)
Phasing software	AMoRE
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.700	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.055	0.141
Total number of observations	41013 *
Number of reflections	19267
<I/σ(I)>	6.6
Completeness [%]	94.9	92.6
Redundancy	2.1	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8.5	18 *	10% PEG 3000, 33 MM TRIS/HCL, 1 MM MGSO4, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	0.5-0.75 (mg/ml)
2	1	drop	PEG3000	10 (%(v/v))
3	1	drop	Tris-HCl	33 (mM)
4	1	drop		1 (mM)