6HHU

Structure of the Bacillus anthracis Sap S-layer assembly domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-14
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	107.553, 115.114, 152.768
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.100 - 2.700
R-factor	0.19
Rwork	0.186
R-free	0.25000
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.380
Data reduction software	xia2 (0.5.48)
Data scaling software	xia2 (0.5.48)
Phasing software	SHARP (2.8)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	150.000	2.730
High resolution limit [Å]	2.690	2.690
Rmerge	0.221
Rmeas	0.230
Rpim	0.065	0.537
Number of reflections	26723	1282
<I/σ(I)>	8.3	1.6
Completeness [%]	99.9	96.8
Redundancy	12.5	10.2
CC(1/2)	0.994	0.658

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.1 M SPG (2-Amino-2-(hydroxymethyl) propane-1,3-diol) buffer at pH 6.0, 25 % w/v polyethylene glycol 1500