4DC7

Crystal Structure of Myoglobin Exposed to Excessive SONICC Imaging Laser Dose.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	35.348, 28.785, 63.044
Unit cell angles	90.00, 106.07, 90.00

Refinement procedure

Resolution	33.900 - 1.500
R-factor	0.181
Rwork	0.181
R-free	0.21200
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	1.000
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	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.068	0.299
Number of reflections	19856
<I/σ(I)>	21.7	5.06
Completeness [%]	97.7	91.4
Redundancy	4.9	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	Protein Solution (20 mg/ml myoglobin, 60% saturated ammonium sulfate, 20 mM Tris, pH 7.5, 5 mM sodium azide, 1 mM EDTA); Well Solution (65% saturated ammonium sulfate, 20 mM Tris, pH 7.5, 1 mM EDTA); Cryoprotectant (68% ammonium sulfate, 20 mM Tris, pH 7.5, 5 mM EDTA, 20% glycerol), VAPOR DIFFUSION, HANGING DROP, temperature 293K