4O1T

Crystal structure of murine neuroglobin mutant F106W

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	2012-04-19
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.86437
Spacegroup name	H 3 2
Unit cell lengths	87.936, 87.936, 114.139
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.670 - 1.600
R-factor	0.1708
Rwork	0.168
R-free	0.19500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.042
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.670	1.657
High resolution limit [Å]	1.600	1.600
Number of reflections	22607
Completeness [%]	100.0	99.96

Crystallization Conditions

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