4O2G

Crystal structure of carbomonoxy murine neuroglobin mutant V140W

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8732
Spacegroup name	H 3 2
Unit cell lengths	85.067, 85.067, 110.202
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.935 - 2.700
R-factor	0.214
Rwork	0.208
R-free	0.26950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.533
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.940	2.795
High resolution limit [Å]	2.700	2.700
Number of reflections	4286
Completeness [%]	97.9	97.37

Crystallization Conditions

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