9EDL

Crystal structure of Francisella tularensis DsbA1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	P 21 21 21
Unit cell lengths	43.744, 57.275, 168.809
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.200 - 1.960
R-factor	0.1857
Rwork	0.184
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.730
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.390	2.060
High resolution limit [Å]	1.950	1.950
Rmerge	0.108	0.685
Rmeas	0.123	0.778
Rpim	0.058	0.364
Number of reflections	31035	3729
<I/σ(I)>	8.2
Completeness [%]	99.2	94.3
Redundancy	4.4	4.4
CC(1/2)	0.996	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M HEPES (pH 7.58), 0.01 mM ZnCl2 and 20% PEG 3350 (v/v), and protein at 58 mg/mL