2AT8

0.96 A Crystal Structure Of Nitrophorin 4 From Rhodnius Prolixus Containing Fe(III) 2,4 Dimethyl Deuteroporphyrin IX Complexed With Nitric Oxide at pH 5.6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9
Spacegroup name	C 1 2 1
Unit cell lengths	70.211, 42.582, 52.935
Unit cell angles	90.00, 94.61, 90.00

Refinement procedure

Resolution	21.290 - 1.000
R-factor	0.166
Rwork	0.165
R-free	0.19500
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1x8o
RMSD bond length	0.015
RMSD bond angle	1.747
Data scaling software	d*TREK (7.2SSIbeta)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.290	0.990
High resolution limit [Å]	0.960	0.960
Rmerge	0.080	0.410
Number of reflections	81981
<I/σ(I)>	22.6	2.9
Completeness [%]	86.4	89
Redundancy	3.16	1.54

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	300	ammonium phosphate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 300.0K