7LUH

Burkholderia pseudomallei Disulfide bond forming protein A (DsbA) liganded with fragment bromophenoxy propanamide

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	2019-11-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	59.539, 62.941, 69.363
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.610 - 1.840
R-factor	0.1701
Rwork	0.165
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k2d
RMSD bond length	0.008
RMSD bond angle	0.837
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.620	1.910
High resolution limit [Å]	1.840	1.840
Rmerge	0.071	1.270
Rmeas	0.077	1.370
Rpim	0.030	0.512
Number of reflections	23090	2249
<I/σ(I)>	16	1.51
Completeness [%]	98.8	98.38
Redundancy	6.7	2
CC(1/2)	0.999	0.633

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	60% Tacsimate Cryo protected in 20% Ethylen Glycol