1J3F

Crystal Structure of an Artificial Metalloprotein:Cr(III)(3,3'-Me2-salophen)/apo-A71G Myoglobin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-10-31
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	32.972, 58.787, 76.237
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.260 - 1.450
R-factor	0.194
Rwork	0.194
R-free	0.21900
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1bvc
RMSD bond length	0.004
RMSD bond angle	1.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.500
High resolution limit [Å]	1.450	1.450
Rmerge	0.093	0.260
Number of reflections	26426
<I/σ(I)>	40.6	9.9
Completeness [%]	97.1	90

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	277	sodium, potassium phosphate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K