7R1M

Crystal structure of ExsFA, a Bacillus cereus spore exosporium protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-09
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	P 41 21 2
Unit cell lengths	95.298, 95.298, 117.183
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.390 - 1.640
R-factor	0.2103
Rwork	0.209
R-free	0.23500
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.390	67.440	1.670
High resolution limit [Å]	1.640	4.450	1.640
Rmeas	0.199	0.073	18.564
Rpim	0.021	0.008	1.996
Total number of observations	5766918	300419	278365
Number of reflections	66528	3640	3233
<I/σ(I)>	19.2	107.7	0.5
Completeness [%]	100.0	100	99.1
Redundancy	86.7	82.5	86.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	292	22.5% (v/v) PEGSH, 0.2 M KCl