1D0D

CRYSTAL STRUCTURE OF TICK ANTICOAGULANT PROTEIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1993-06-08
Detector	RIGAKU RAXIS II
Spacegroup name	P 41
Unit cell lengths	46.870, 46.870, 50.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.620
R-factor	0.188 *
Rwork	0.189
R-free	0.21100
RMSD bond length	0.011
RMSD bond angle	1.500
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.000	1.880
High resolution limit [Å]	1.620	1.620
Rmerge	0.054	0.188 *
Total number of observations	86488 *
Number of reflections	13056
<I/σ(I)>	15.8
Completeness [%]	93.1 *	88.4 *
Redundancy	6.6	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	4 *	ammonium sulfate, ADA, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	ADA	0.1 (M)
3	1	reservoir	ammonium sulfate	1.2 (M)