6ZJ8

Structure of the PAS domain from Bordetella pertussis BvgS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.98999
Spacegroup name	P 21 21 2
Unit cell lengths	121.960, 122.288, 105.283
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.650 - 2.400
R-factor	0.2281
Rwork	0.227
R-free	0.25190
Structure solution method	MAD
RMSD bond length	0.002
RMSD bond angle	0.472
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHARP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.074	0.320
Number of reflections	70503	6931
<I/σ(I)>	17.12	1.28
Completeness [%]	99.9	99.9
Redundancy	7	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	292	sodium acetate 0.1 M (pH 5), 2% PEG 6000, 15% glycerol