3NP1

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

Experimental procedure

Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	293
Detector technology	DIFFRACTOMETER
Collection date	1997-10-17
Detector	ENRAF-NONIUS FAST
Spacegroup name	P 1 21 1
Unit cell lengths	39.390, 74.220, 66.230
Unit cell angles	90.00, 99.51, 90.00

Refinement procedure

Resolution	15.000 - 2.300
R-factor	0.19
Rwork	0.190
R-free	0.28000
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1np1
RMSD bond length	0.013
RMSD bond angle	30.100 *
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	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.053 *
Total number of observations	46715 *
Number of reflections	16620
<I/σ(I)>	10	2.8
Completeness [%]	99.0	97.2
Redundancy	2	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		Andersen, J.F., (1997) Biochemistry, 36, 4423. *

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)