5EQM

Crystal structure of murine neuroglobin at 310 MPa 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	87.372, 87.372, 113.284
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.050
R-factor	0.1746
Rwork	0.172
R-free	0.23710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o4t
RMSD bond length	0.023
RMSD bond angle	2.219
Data reduction software	XDS
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]	45.345	45.345	2.160
High resolution limit [Å]	2.050	6.480	2.050
Rmerge		0.051	0.541
Rmeas	0.126
Rpim	0.057	0.029	0.268
Total number of observations	51538	1602	7525
Number of reflections	10340
<I/σ(I)>	9.8	21.3	3.2
Completeness [%]	97.6	95.5	97.8
Redundancy	5	4.6	5

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