5EOH

Crystal structure of murine neuroglobin at 270 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	87.560, 87.560, 113.636
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.1711
Rwork	0.169
R-free	0.22140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o4t
RMSD bond length	0.020
RMSD bond angle	2.010
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]	45.470	45.470	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.054	0.473
Rmeas	0.106
Rpim	0.049	0.032	0.244
Total number of observations	62535	1945	8986
Number of reflections	13380
<I/σ(I)>	10.3	20.8	3.3
Completeness [%]	99.8	98.4	99.7
Redundancy	4.7	4.3	4.7

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