3C77

1.08 A crystal structure of nitrophorin 4 from Rhodnius prolixus containing FE(III) deuteroporphyrin ix complexed with ammonia at ph 7.5

Replaces:  2AT4

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
Spacegroup name	C 1 2 1
Unit cell lengths	70.156, 42.745, 52.821
Unit cell angles	90.00, 94.03, 90.00

Refinement procedure

Resolution	21.800 - 1.080
R-factor	0.137
Rwork	0.137
R-free	0.16200
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1x8p
RMSD bond length	0.015
RMSD bond angle	1.726
Data scaling software	CrystalClear (V. 1.3 D*TREK (MSC/RIGAKU))
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.800	1.110
High resolution limit [Å]	1.070	1.070
Rmerge	0.060	0.180
Number of reflections	65307
<I/σ(I)>	16.1	3.6
Completeness [%]	94.9	91
Redundancy	6.68	6.06

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	300	AMMONIUM PHOSPHATE, pH 7.50, temperature 300.0K, VAPOR DIFFUSION, HANGING DROP