5F2A

Crystal structure of murine neuroglobin mutant F106W at 310 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	85.990, 85.990, 114.578
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.169
Rwork	0.165
R-free	0.26020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o4t
RMSD bond length	0.028
RMSD bond angle	2.602
Data reduction software	XDS
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.407	45.407	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge		0.045	0.866
Rmeas	0.144
Rpim	0.068	0.026	0.463
Total number of observations	40554	1283	5909
Number of reflections	9673
<I/σ(I)>	7.4	20.4	1.6
Completeness [%]	99.5	97.9	99.9
Redundancy	4.2	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