3WFU

Crystal structure of horse heart myoglobin reconstituted with cobalt(I) tetradehydrocorrin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-22
Detector	RAYONIX MX225HE
Wavelength(s)	0.90000
Spacegroup name	P 1 21 1
Unit cell lengths	34.836, 28.720, 63.352
Unit cell angles	90.00, 105.60, 90.00

Refinement procedure

Resolution	15.000 - 1.350
R-factor	0.14575
Rwork	0.143
R-free	0.19660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.026
RMSD bond angle	3.000
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.400
High resolution limit [Å]	1.350	1.350
Number of reflections	25415
<I/σ(I)>	28.9	4
Completeness [%]	95.2	92.2
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	298	0.1M Tris-HCl, 3.4M ammonium sulfate, 10% treharose, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K