1GIU

A TRICHOSANTHIN(TCS) MUTANT(E85R) COMPLEX STRUCTURE WITH ADENINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2000-12-29
Detector	MAR scanner 345 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	38.000, 75.300, 78.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 1.800
R-factor	0.21
Rwork	0.210
R-free	0.24700
RMSD bond length	0.019
RMSD bond angle	1.290
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.077	0.517
Number of reflections	21401
<I/σ(I)>	6.8
Completeness [%]	99.2	99.2
Redundancy	3.3	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.7	291	CaCl2, KCl, NaAC-HAC, pH 5.7, EVAPORATION, temperature 291.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	40 (mg/ml)
2	1	reservoir		100 (mM)	pH5.7
3	1	reservoir		20 (%)
4	1	reservoir		100 (mM)