6EYE

Crystal structure of murine neuroglobin under 150 bar krypton

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.8556
Spacegroup name	H 3 2
Unit cell lengths	87.854, 87.854, 113.210
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.410 - 1.700
R-factor	0.1962
Rwork	0.194
R-free	0.25394
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4o4t
RMSD bond length	0.023
RMSD bond angle	2.241
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.410	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.043	0.275
Rmeas	0.045	0.318
Rpim	0.013	0.151
Number of reflections	18730	2672
<I/σ(I)>	28.3
Completeness [%]	99.8	99.1
Redundancy	19.6	4.7
CC(1/2)	0.999	0.893

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	1.6M AMMONIUM SULPHATE, 0.1M MES