6A8J

Crystal structure of bacterial protein toxins

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9796
Spacegroup name	C 2 2 21
Unit cell lengths	177.686, 197.928, 163.293
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.706 - 2.711
R-factor	0.2283
Rwork	0.226
R-free	0.26540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.507
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.710
High resolution limit [Å]	2.700	2.700
Number of reflections	135922
<I/σ(I)>	17.27
Completeness [%]	94.5
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	1.4 M ammonium sulfate, 0.1 M Tris-HCl (pH 8.0), 12% glycerol