4FML

Catalytic domain of VahC from Aeromonas hydrophila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-21
Detector	RAYONIX MX-300
Wavelength(s)	0.979
Spacegroup name	P 65 2 2
Unit cell lengths	91.100, 91.100, 303.370
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.550 - 1.930
R-factor	0.1925
Rwork	0.191
R-free	0.21730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	1.500
Data reduction software	AutoProcess ((XDS)
Data scaling software	pointless (based automatic processing script))
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.550	1.980
High resolution limit [Å]	1.930	1.930
Rmerge	0.080	0.492
Number of reflections	57036
<I/σ(I)>	31.2	3.67
Completeness [%]	99.9	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	297	25% PEG 3350, 0.2 M NaCl, 0.1M Hepes, 5% glycerol, 2 mM DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 297K