1QD2

CRYSTAL STRUCTURE OF THE COMPLEX OF TRICHOSANTHIN WITH ADENINE, OBTAINED FROM TRICHOSANTHIN COMPLEXED WITH THE DINUCLEOTIDE APG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1997-06-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	38.410, 76.720, 79.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.860
R-factor	0.163
Rwork	0.163
R-free	0.22100
RMSD bond length	0.014
RMSD bond angle	1.266
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.900
High resolution limit [Å]	1.860	1.860
Rmerge	0.078	0.343
Number of reflections	20045
<I/σ(I)>	20
Completeness [%]	98.8	90.3
Redundancy	3.5	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	20 *	HANGING DROP, CITRATE BUFFER, POTASSIUM CHLORIDE, DINUCLEOTIDE APG. NATIVE CRYSTALS SOAKED IN SOLUTION CONTAINING DINUCLEOTIDE APG, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 281K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	citrate	0.004 (M)
3	1	drop	corresponding substrates	1-2 (mg/ml)
4	1	drop		7 (%)
5	1	reservoir		14 (%)
6	1	reservoir	sodium citrate	0.008 (M)