1VTL

CO-CRYSTAL STRUCTURE OF TBP RECOGNIZING THE MINOR GROOVE OF A TATA ELEMENT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	123
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 1 21 1
Unit cell lengths	41.800, 146.500, 57.600
Unit cell angles	90.00, 90.60, 90.00

Refinement procedure

Resolution	6.000 - 2.250
R-factor	0.202
Rwork	0.202
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	2.600
Number of reflections	18312

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.2	277	pH 6.20, VAPOR DIFFUSION, temperature 277.00K
1	VAPOR DIFFUSION	6.2	277	pH 6.20, VAPOR DIFFUSION, temperature 277.00K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	WATER	2	3
10	1	2	MES	29	30
2	1	1	DTT	5	6
3	1	1	GLYCEROL	8	9
4	1	1	MES	11	12
5	1	1	KCL	14	15
6	1	1	NH4 ACETATE	17	18
7	1	2	WATER	20	21
8	1	2	DTT	23	24
9	1	2	GLYCEROL	26	27