5ED0

Structure of the Shigella flexneri VapC mutant D7N

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	C 2 2 21
Unit cell lengths	160.550, 185.460, 146.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.406 - 2.100
R-factor	0.1781
Rwork	0.177
R-free	0.22510
RMSD bond length	0.008
RMSD bond angle	1.260
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (dev_1839)

Data quality characteristics

	Overall
Low resolution limit [Å]	45.410
High resolution limit [Å]	2.100
Number of reflections	12579
<I/σ(I)>	10.34
Completeness [%]	99.7
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	292.15	1.1 M sodium malonate, 0.1 M Hepes-NaOH, pH 7.0, and 0.5% v/v Jeffamine ED-2001