6A7H

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	CCD
Collection date	2017-07-20
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9796
Spacegroup name	C 2 2 21
Unit cell lengths	178.541, 198.279, 164.023
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.880 - 2.301
R-factor	0.181
Rwork	0.178
R-free	0.23030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.038
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	2.340
High resolution limit [Å]	2.300	2.300
Number of reflections	128159
<I/σ(I)>	19.87
Completeness [%]	99.9
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.2 M LiSO4, 28% PEG4000, 0.1 M Tris-HCl (pH 8.0)