9IME

Pilin PilA from Burkholderia thailandensis with bromide ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-17
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.91163
Spacegroup name	P 1 21 1
Unit cell lengths	32.245, 52.720, 72.885
Unit cell angles	90.00, 97.60, 90.00

Refinement procedure

Resolution	29.800 - 1.350
R-factor	0.1564
Rwork	0.155
R-free	0.18820
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.883
Data reduction software	MOSFLM (7.4.0)
Data scaling software	Aimless (0.7.9)
Phasing software	PHENIX (1.20.1)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.800	1.370
High resolution limit [Å]	1.350	1.350
Rmerge	0.103	1.938
Rmeas	0.108	2.041
Rpim	0.033	0.635
Number of reflections	102670	2528
<I/σ(I)>	18	2.1
Completeness [%]	98.3	97.8
Redundancy	20.9	19.7
CC(1/2)	0.999	0.763

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	100 mM HEPES, 1.8 M ammonium sulfate