3RJ6

Crystal Structure of Horse heart ferric myoglobin; K45E/K63E/K96E mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	110
Detector technology	CCD
Collection date	2011-02-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.07809
Spacegroup name	P 1 21 1
Unit cell lengths	28.341, 123.565, 34.986
Unit cell angles	90.00, 89.73, 90.00

Refinement procedure

Resolution	61.780 - 1.230
R-factor	0.17425
Rwork	0.173
R-free	0.19737
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.029
RMSD bond angle	2.340
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.780	1.261
High resolution limit [Å]	1.230	1.230
Number of reflections	64506
Completeness [%]	97.6	92.85
Redundancy	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	293	3.3 M ammonium sulfate, 0.02 M tris, 0.001 M EDTA, , pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K