3GKT

Crystal structure of murine neuroglobin under Kr pressure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.86437
Spacegroup name	H 3 2
Unit cell lengths	88.800, 88.800, 113.500
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.550 - 1.860
R-factor	0.17451
Rwork	0.173
R-free	0.20839
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1q1f
RMSD bond length	0.016
RMSD bond angle	1.452
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC (5.2.0019)
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.100
High resolution limit [Å]	1.860	1.860
Rmerge	0.050	0.350
Number of reflections	14316
<I/σ(I)>		5.03
Completeness [%]	99.7	100
Redundancy	6.17

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	1.6M ammonium sulphate, 0.1M MES, pH6.5, 10% dioxane, VAPOR DIFFUSION, HANGING DROP, temperature 293K