5EYS

Crystal structure of murine neuroglobin mutant F106W at ambient 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	88.784, 88.784, 114.310
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.750
R-factor	0.1554
Rwork	0.154
R-free	0.18650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o4t
RMSD bond length	0.015
RMSD bond angle	1.685
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]	45.870	45.870	1.840
High resolution limit [Å]	1.750	5.530	1.750
Rmerge		0.040	0.688
Rmeas	0.089
Rpim	0.041	0.023	0.360
Total number of observations	79951	2475	11689
Number of reflections	17681
<I/σ(I)>	10.8	25.8	1.7
Completeness [%]	99.8	99.1	99.8
Redundancy	4.5	4.1	4.6

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