7O23

C-terminal head domain of the trimeric autotransporter adhesin BpaC from Burkholderia pseudomallei fused to a GCN4 anchor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97949
Spacegroup name	H 3 2
Unit cell lengths	57.390, 57.390, 516.530
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.790 - 1.400
Rwork	0.184
R-free	0.21710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s6l
RMSD bond length	0.006
RMSD bond angle	0.817
Data reduction software	XDS (2019-04-17)
Data scaling software	pointless (1.11.21)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.18_3845)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.790	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.168	1.061
Number of reflections	65740	6377
<I/σ(I)>	6.87	1.39
Completeness [%]	99.5	99.28
Redundancy	8	7.5
CC(1/2)	0.995	0.657

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	Protein solution at 130 mg/mL in 20 mM Tris-HCl pH 8, 150 mM NaCl. Hit in JCSG IV, E10: 100 nL protein solution + 100 nL reservoir solution 0.1 M HEPES pH 6.5, 0.8 M (NH4)2SO4 Cryoprotection: add 400 nL of 0.15 M HEPES pH 6.5, 1.2 M (NH4)2SO4, 35% Glycerol