5EYJ

Crystal structure of murine neuroglobin mutant V101F at 240 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	87.199, 87.199, 113.904
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.149
Rwork	0.144
R-free	0.26030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o4t
RMSD bond length	0.033
RMSD bond angle	2.922
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.940	45.471	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge		0.070	0.781
Rmeas	0.205
Rpim	0.089	0.038	0.366
Total number of observations	33463	1045	4907
Number of reflections	6714
<I/σ(I)>	4.9	11.6	1.8
Completeness [%]	100.0	99.7	100
Redundancy	5	4.3	5.1

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