2AT6

1.22 A Crystal Structure Of Nitrophorin 4 From Rhodnius Prolixus Containing Fe(III) Deuteroporphyrin IX Complexed With Water 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	2003-07-31
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9
Spacegroup name	C 1 2 1
Unit cell lengths	70.288, 42.699, 52.979
Unit cell angles	90.00, 94.35, 90.00

Refinement procedure

Resolution	20.380 - 1.220
R-factor	0.134
Rwork	0.133
R-free	0.16700
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1x8q
RMSD bond length	0.016
RMSD bond angle	1.760
Data scaling software	d*TREK (7.2SSIbeta)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.350	1.260
High resolution limit [Å]	1.220	1.220
Rmerge	0.070	0.310
Number of reflections	44684
<I/σ(I)>	15.3	3.4
Completeness [%]	95.7	94
Redundancy	6.19	6.02

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