5EET

Crystal structure of murine neuroglobin at ambient pressure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE CRISTAL
Synchrotron site	SOLEIL
Beamline	CRISTAL
Temperature [K]	293
Detector technology	CCD
Collection date	2012-05-02
Detector	MAR CCD 165 mm
Wavelength(s)	0.4540
Spacegroup name	H 3 2
Unit cell lengths	88.316, 88.316, 114.457
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.1449
Rwork	0.143
R-free	0.18050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o4t
RMSD bond length	0.019
RMSD bond angle	1.879
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.821	45.821	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge		0.044	0.479
Rmeas	0.119
Rpim	0.056	0.025	0.256
Total number of observations	47048	1449	6854
Number of reflections	11623
<I/σ(I)>	10.2	23.5	3.3
Completeness [%]	98.7	93.5	99.7
Redundancy	4	3.8	4.1

Crystallization Conditions

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