5ECY

Structure of the Shigella flexneri VapC mutant D98N crystal form 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9795
Spacegroup name	P 42 21 2
Unit cell lengths	139.440, 139.440, 130.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.670 - 2.000
R-factor	0.1805
Rwork	0.180
R-free	0.21380
RMSD bond length	0.009
RMSD bond angle	1.072
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (dev_1839)

Data quality characteristics

	Overall
Low resolution limit [Å]	47.670
High resolution limit [Å]	2.000
Number of reflections	8429
<I/σ(I)>	8.71
Completeness [%]	100.0
Redundancy	9.76

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	292.15	2.8 M sodium acetate trihydrate