9QBC

Crystal structure of Brachyspira hampsonii PadR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2021-12-02
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.541790
Spacegroup name	P 41 21 2
Unit cell lengths	48.266, 48.266, 107.726
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.930 - 2.050
R-factor	0.2274
Rwork	0.225
R-free	0.27710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.190
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.000	2.110
High resolution limit [Å]	2.050	2.050
Rmerge	0.052	1.072
Rmeas	0.056	1.152
Rpim	0.021	0.416
Total number of observations		4861
Number of reflections	8597	646
<I/σ(I)>	21.4	2
Completeness [%]	100.0
Redundancy	7.5	7.5
CC(1/2)	1.000	0.592

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	294	0.2 M lithium sulfate, 0.1 M Tris pH 8.5, 1.26 M ammonium sulfate