8D02

Crystal Structure of Bacillus anthracis BxpB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	I 2 3
Unit cell lengths	99.902, 99.902, 99.902
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.950 - 1.400
R-factor	0.1754
Rwork	0.175
R-free	0.18600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Ab initio/homology Model
Data reduction software	XDS
Data scaling software	Aimless (1.12.12)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	70.640	70.640	1.420
High resolution limit [Å]	1.400	7.670	1.400
Rmerge	0.077	0.047	0.957
Rmeas	0.078	0.048	0.987
Rpim	0.014	0.009	0.239
Total number of observations	1008145	6525	26118
Number of reflections	32721	227	1581
<I/σ(I)>	26	67.4	3
Completeness [%]	100.0	100	100
Redundancy	30.8	28.7	16.5
CC(1/2)	1.000	0.999	0.854

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	Jeffamine M-600, 30%