1NP1

CRYSTAL STRUCTURE OF THE COMPLEX OF NITROPHORIN 1 FROM RHODNIUS PROLIXUS WITH HISTAMINE

Experimental procedure

Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	293
Detector technology	DIFFRACTOMETER
Collection date	1996-04-10
Detector	ENRAF-NONIUS FAST
Spacegroup name	P 1 21 1
Unit cell lengths	39.550, 74.570, 66.560
Unit cell angles	90.00, 99.94, 90.00

Refinement procedure

Resolution	15.000 - 2.000
R-factor	0.181
Rwork	0.181
R-free	0.27800
Structure solution method	MIR
RMSD bond length	0.016
RMSD bond angle	30.000 *
Data reduction software	AGROVATA/ROTAVATA
Data scaling software	Agrovata
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.000	2.140
High resolution limit [Å]	2.000	2.000
Rmerge	0.041 *	0.153 *
Total number of observations	71252 *
Number of reflections	25247
<I/σ(I)>	13.4	4.1
Completeness [%]	97.7	94
Redundancy	2.8	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		2.8 M AMMONIUM PHOSPHATE, 0.1 M TRIS.HCL, PH 7.5, ROOM TEMPERATURE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	potassium phosphate	10 (mM)
3	1	reservoir	ammonium phosphate	2.6 (M)
4	1	reservoir	potassium cacodylate	0.1 (M)