9JR8

Pilin PilA from Burkholderia thailandensis with iodide ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2022-12-17
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	32.230, 52.605, 73.325
Unit cell angles	90.00, 97.44, 90.00

Refinement procedure

Resolution	29.910 - 1.550
R-factor	0.1875
Rwork	0.186
R-free	0.21730
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	0.922
Data reduction software	MOSFLM (7.4.0)
Data scaling software	Aimless (0.7.9)
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.910	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.105	1.466
Rmeas	0.109	1.519
Rpim	0.028	0.396
Number of reflections	34806	1661
<I/σ(I)>	18.8	2.7
Completeness [%]	98.4	97.5
Redundancy	15.3	14.5
CC(1/2)	0.999	0.825

Crystallization Conditions

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