2AT5

1.22 A Crystal Structure Of Nitrophorin 4 From Rhodnius Prolixus Containing Fe(III) 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	2003-07-30
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9
Spacegroup name	C 1 2 1
Unit cell lengths	70.210, 42.666, 53.005
Unit cell angles	90.00, 94.27, 90.00

Refinement procedure

Resolution	20.380 - 1.220
R-factor	0.118
Rwork	0.118
R-free	0.14800
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1x8o
RMSD bond length	0.014
RMSD bond angle	1.674
Data scaling software	d*TREK (7.2SSIbeta)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.380	1.260
High resolution limit [Å]	1.220	1.220
Rmerge	0.060	0.180
Number of reflections	44702
<I/σ(I)>	24.3	10.6
Completeness [%]	95.8	95.8
Redundancy	5.93	5.74

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