5F0B

Crystal structure of murine neuroglobin mutant F106W at 280 MPa pressure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID09
Synchrotron site	ESRF
Beamline	ID09
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2013-07-12
Detector	MAR555 FLAT PANEL
Wavelength(s)	0.4104
Spacegroup name	H 3 2
Unit cell lengths	86.212, 86.212, 114.459
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.146
R-factor	0.1741
Rwork	0.171
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o4t
RMSD bond length	0.027
RMSD bond angle	2.451
Data reduction software	XDS
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.421	45.421	2.270
High resolution limit [Å]	2.146	6.800	2.146
Rmerge		0.057	0.863
Rmeas	0.161
Rpim	0.054	0.021	0.306
Total number of observations	80095	2504	11750
Number of reflections	9151
<I/σ(I)>	10.2	25.1	3.3
Completeness [%]	100.0	99.8	100
Redundancy	8.8	7.7	8.9

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