1TSI

STRUCTURE OF THE COMPLEX BETWEEN TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE AND N-HYDROXY-4-PHOSPHONO-BUTANAMIDE: BINDING AT THE ACTIVE SITE DESPITE AN "OPEN" FLEXIBLE LOOP

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	113.340, 97.150, 46.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.840
R-factor	0.115
RMSD bond length	0.012
RMSD bond angle	3.200
Refinement software	TNT

Data quality characteristics

	Overall
High resolution limit [Å]	2.840 *
Rmerge	0.063 *
Number of reflections	6530 *
Completeness [%]	95.8 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	triosephosphate isomerase	4.5 (mg/ml)	0.9 M ammonium sulphate
2	1	drop	ammonium sulfate	60 (%)
3	1	drop	3-(N-morpholino)-propane-sulphonic acid	0.2 (M)
4	1	drop	EDTA	1 (mM)
5	1	drop	dithiothreitol	1 (mM)
6	1	drop	sodium azide	1 (mM)
7	1	reservoir	ammonium sulphate	60 (%)