9PRB

Crystal structure of the N-terminal domain of the A subunit of the Bacillus cereus GerI germinant receptor

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-21
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97929
Spacegroup name	C 2 2 21
Unit cell lengths	82.149, 122.846, 212.188
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.300 - 2.800
R-factor	0.201
Rwork	0.199
R-free	0.22900
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.170
Data reduction software	autoPROC (1.0.5)
Data scaling software	autoPROC (1.0.5)
Phasing software	PHENIX (1.19.2-4128)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.640	1.920
High resolution limit [Å]	1.890	1.890
Rmerge	0.061	1.294
Rmeas	0.063	1.329
Rpim	0.015	0.303
Number of reflections	26911	6729
<I/σ(I)>	31.6	2.2
Completeness [%]	95.9	94
Redundancy	18.3	19
CC(1/2)	1.000	0.907

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	289	0.1 M HEPES, pH 7.), 1.8-2.0 M ammonium acetate
1	VAPOR DIFFUSION, HANGING DROP	7.4	289	0.1 M HEPES, pH 7.), 1.8-2.0 M ammonium acetate
1	VAPOR DIFFUSION, HANGING DROP	7.4	289	0.1 M HEPES, pH 7.), 1.8-2.0 M ammonium acetate
1	VAPOR DIFFUSION, HANGING DROP	7.4	289	0.1 M HEPES, pH 7.), 1.8-2.0 M ammonium acetate