2Z6T

Crystal structure of the ferric peroxo myoglobin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-15
Detector	ADSC QUANTUM 210
Wavelength(s)	0.6
Spacegroup name	P 1 21 1
Unit cell lengths	34.336, 30.706, 63.682
Unit cell angles	90.00, 105.44, 90.00

Refinement procedure

Resolution	8.000 - 1.200
R-factor	0.131
Rwork	0.131
R-free	0.18500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2z6s
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.240
High resolution limit [Å]	1.200	1.200
Number of reflections	39884
<I/σ(I)>	27.8	2.78
Completeness [%]	99.0
Redundancy		3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	6	293	Ammonium Sulfate, pH6.0, LIQUID DIFFUSION, temperature 293K