5EV5

Crystal structure of murine neuroglobin mutant V101F at 150 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	89.024, 89.024, 113.879
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.1552
Rwork	0.153
R-free	0.20270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o4t
RMSD bond length	0.021
RMSD bond angle	2.000
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.964	43.964	2.060
High resolution limit [Å]	1.950	6.170	1.950
Rmerge		0.037	0.729
Rmeas	0.102
Rpim	0.050	0.022	0.410
Total number of observations	51072	1604	7565
Number of reflections	12433
<I/σ(I)>	10.2	26.1	1.8
Completeness [%]	99.4	97.7	99.7
Redundancy	4.1	3.8	4.2

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