1NP4

CRYSTAL STRUCTURE OF NITROPHORIN 4 FROM RHODNIUS PROLIXUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1997-10-22
Detector	ENRAF-NONIUS
Spacegroup name	C 1 2 1
Unit cell lengths	70.540, 43.650, 53.120
Unit cell angles	90.00, 94.19, 90.00

Refinement procedure

Resolution	21.000 - 1.500
R-factor	0.204
Rwork	0.204
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1np1
RMSD bond length	0.006
RMSD bond angle	1.350
Data reduction software	ROTAVATA
Data scaling software	CCP4 ((AGROVATA)
Phasing software	CCP4
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.039 *	0.135 *
Total number of observations	49805 *
Number of reflections	23988
<I/σ(I)>	9.2	5.3
Completeness [%]	91.1	74.1
Redundancy	2.1	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *		used to seeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium phosphate	2.8 (M)
2	1	reservoir	sodium cacodylate	0.1 (M)