2Z6S

Crystal structure of the oxy myoglobin free from X-ray-induced photoreduction

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	34.338, 30.699, 63.674
Unit cell angles	90.00, 105.46, 90.00

Refinement procedure

Resolution	8.000 - 1.250
R-factor	0.187
Rwork	0.136
R-free	0.18700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1am6
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	1.290
High resolution limit [Å]	1.250	1.250
Number of reflections	35414
<I/σ(I)>	24.4	2.53
Completeness [%]	99.2	96.6
Redundancy	3.6	3.6

Crystallization Conditions

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