9JW8

Pilin PilA from Burkholderia pseudomallei 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 43
Unit cell lengths	50.420, 50.420, 50.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.090 - 1.500
R-factor	0.191
Rwork	0.189
R-free	0.21920
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	0.964
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]	29.090	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.072	0.838
Rmeas	0.074	0.877
Rpim	0.019	0.249
Number of reflections	20076	901
<I/σ(I)>	20.6	3
Completeness [%]	99.0	91.1
Redundancy	14.9	11.5
CC(1/2)	0.999	0.748

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	100 mM HEPES, 25% PEG 4,000